N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine

C18H18N4O4S2 — CID 6276687

IUPACN-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(N/N=C\c3ccco3)n2)cc1)N1CCOCC1
InChIInChI=1S/C18H18N4O4S2/c23-28(24,22-7-10-25-11-8-22)16-5-3-14(4-6-16)17-13-27-18(20-17)21-19-12-15-2-1-9-26-15/h1-6,9,12-13H,7-8,10-11H2,(H,20,21)/b19-12-
InChIKeyPCJQCMVVKKBUEX-UNOMPAQXSA-N
MW418.50 g/mol
LogP2.87
Rot. Bonds6

About N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine

N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 6276687) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID6276687
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(N/N=C\c3ccco3)n2)cc1)N1CCOCC1
InChIInChI=1S/C18H18N4O4S2/c23-28(24,22-7-10-25-11-8-22)16-5-3-14(4-6-16)17-13-27-18(20-17)21-19-12-15-2-1-9-26-15/h1-6,9,12-13H,7-8,10-11H2,(H,20,21)/b19-12-
InChIKeyPCJQCMVVKKBUEX-UNOMPAQXSA-N
XLogP2.87
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276688
3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4500888
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 18552758
4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 5230382
4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540243
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
N-[(4-propan-2-ylphenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230376
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276598
N-[(E)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 42991051
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 6276687) is N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine is O=S(=O)(c1ccc(-c2csc(N/N=C\c3ccco3)n2)cc1)N1CCOCC1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is PCJQCMVVKKBUEX-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c23-28(24,22-7-10-25-11-8-22)16-5-3-14(4-6-16)17-13-27-18(20-17)21-19-12-15-2-1-9-26-15/h1-6,9,12-13H,7-8,10-11H2,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 418.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 6276687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).