N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine — IUPAC name, SMILES, InChIKey & properties

Name: N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 158726470) has the molecular formula C92H94N18O11S8 and a molecular weight of 1884.41 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name	N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID	158726470
Molecular Formula	C92H94N18O11S8
Molecular Weight	1884.41 g/mol
Exact Mass	1882.51
IUPAC Name	N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILES	CC(=O)c1ccc(CC(C)C)c(Cc2nc(-c3ccc(N4CCN(C)CC4)nc3)cs2)c1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Nc1nc(-c2cccnc2)cs1.CCS(=O)(=O)c1ccc(OC)c(Nc2nc(-c3cccnc3)cs2)c1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2cccnc2)cs1.[C-]#[N+]c1ccc(OC)c(Nc2nc(-c3cccnc3)cs2)c1
InChI	InChI=1S/C26H32N4OS.C18H19N3O3S2.C17H17N3O3S2.C16H12N4OS.C15H14N4O3S2/c1-18(2)13-21-6-5-20(19(3)31)14-23(21)15-26-28-24(17-32-26)22-7-8-25(27-16-22)30-11-9-29(4)10-12-30;1-12(2)24-17-7-6-14(26(3,22)23)9-15(17)20-18-21-16(11-25-18)13-5-4-8-19-10-13;1-3-25(21,22)13-6-7-16(23-2)14(9-13)19-17-20-15(11-24-17)12-5-4-8-18-10-12;1-17-12-5-6-15(21-2)13(8-12)19-16-20-14(10-22-16)11-4-3-7-18-9-11;1-22-14-5-4-11(24(16,20)21)7-12(14)18-15-19-13(9-23-15)10-3-2-6-17-8-10/h5-8,14,16-18H,9-13,15H2,1-4H3;4-12H,1-3H3,(H,20,21);4-11H,3H2,1-2H3,(H,19,20);3-10H,2H3,(H,19,20);2-9H,1H3,(H,18,19)(H2,16,20,21)
InChIKey	IKOGMVVMRRIFBN-UHFFFAOYSA-N
XLogP	19.95
TPSA	370.29 Å²
H-Bond Donors	5
H-Bond Acceptors	32
Rotatable Bonds	28
Heavy Atoms	129
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.41
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?

The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 158726470) is N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?

The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is CC(=O)c1ccc(CC(C)C)c(Cc2nc(-c3ccc(N4CCN(C)CC4)nc3)cs2)c1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Nc1nc(-c2cccnc2)cs1.CCS(=O)(=O)c1ccc(OC)c(Nc2nc(-c3cccnc3)cs2)c1.COc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2cccnc2)cs1.[C-]#[N+]c1ccc(OC)c(Nc2nc(-c3cccnc3)cs2)c1.

What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?

The InChIKey is IKOGMVVMRRIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4OS.C18H19N3O3S2.C17H17N3O3S2.C16H12N4OS.C15H14N4O3S2/c1-18(2)13-21-6-5-20(19(3)31)14-23(21)15-26-28-24(17-32-26)22-7-8-25(27-16-22)30-11-9-29(4)10-12-30;1-12(2)24-17-7-6-14(26(3,22)23)9-15(17)20-18-21-16(11-25-18)13-5-4-8-19-10-13;1-3-25(21,22)13-6-7-16(23-2)14(9-13)19-17-20-15(11-24-17)12-5-4-8-18-10-12;1-17-12-5-6-15(21-2)13(8-12)19-16-20-14(10-22-16)11-4-3-7-18-9-11;1-22-14-5-4-11(24(16,20)21)7-12(14)18-15-19-13(9-23-15)10-3-2-6-17-8-10/h5-8,14,16-18H,9-13,15H2,1-4H3;4-12H,1-3H3,(H,20,21);4-11H,3H2,1-2H3,(H,19,20);3-10H,2H3,(H,19,20);2-9H,1H3,(H,18,19)(H2,16,20,21).

What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?

Where does this data come from?

All data for N-(5-ethylsulfonyl-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(5-isocyano-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;1-[3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)phenyl]ethanone;N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158726470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).