N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide

C23H24ClN7OS — CID 54485111

IUPACN-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1sc(Nc2cccc(NCCCc3ncc[nH]3)n2)nc1C
InChIInChI=1S/C23H24ClN7OS/c1-14-6-3-7-16(24)20(14)31-22(32)21-15(2)28-23(33-21)30-19-9-4-8-18(29-19)25-11-5-10-17-26-12-13-27-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,26,27)(H,31,32)(H2,25,28,29,30)
InChIKeyXRTBGSPOOTVRLQ-UHFFFAOYSA-N
MW482.01 g/mol
LogP5.57
Rot. Bonds9

About N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 54485111) has the molecular formula C23H24ClN7OS and a molecular weight of 482.01 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID54485111
Molecular FormulaC23H24ClN7OS
Molecular Weight482.01 g/mol
Exact Mass481.15
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1sc(Nc2cccc(NCCCc3ncc[nH]3)n2)nc1C
InChIInChI=1S/C23H24ClN7OS/c1-14-6-3-7-16(24)20(14)31-22(32)21-15(2)28-23(33-21)30-19-9-4-8-18(29-19)25-11-5-10-17-26-12-13-27-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,26,27)(H,31,32)(H2,25,28,29,30)
InChIKeyXRTBGSPOOTVRLQ-UHFFFAOYSA-N
XLogP5.57
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 54485111) is N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1sc(Nc2cccc(NCCCc3ncc[nH]3)n2)nc1C.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XRTBGSPOOTVRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7OS/c1-14-6-3-7-16(24)20(14)31-22(32)21-15(2)28-23(33-21)30-19-9-4-8-18(29-19)25-11-5-10-17-26-12-13-27-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,26,27)(H,31,32)(H2,25,28,29,30).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 482.01 g/mol, XLogP of 5.57, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54485111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).