N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide

C21H18ClN5OS2 — CID 121476973

IUPACN-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N(C)c4ccc(Cl)cc4)cn3)n2)s1
InChIInChI=1S/C21H18ClN5OS2/c1-12-19(30-13(2)24-12)17-11-29-21(25-17)26-18-9-4-14(10-23-18)20(28)27(3)16-7-5-15(22)6-8-16/h4-11H,1-3H3,(H,23,25,26)
InChIKeyJLQOXYDMDNLRLN-UHFFFAOYSA-N
MW456.00 g/mol
LogP5.95
Rot. Bonds5

About N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide

N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 121476973) has the molecular formula C21H18ClN5OS2 and a molecular weight of 456.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide
PubChem CID121476973
Molecular FormulaC21H18ClN5OS2
Molecular Weight456.00 g/mol
Exact Mass455.06
IUPAC NameN-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N(C)c4ccc(Cl)cc4)cn3)n2)s1
InChIInChI=1S/C21H18ClN5OS2/c1-12-19(30-13(2)24-12)17-11-29-21(25-17)26-18-9-4-14(10-23-18)20(28)27(3)16-7-5-15(22)6-8-16/h4-11H,1-3H3,(H,23,25,26)
InChIKeyJLQOXYDMDNLRLN-UHFFFAOYSA-N
XLogP5.95
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.00
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide (CID 121476973) is N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N(C)c4ccc(Cl)cc4)cn3)n2)s1.
What is the InChIKey of N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is JLQOXYDMDNLRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5OS2/c1-12-19(30-13(2)24-12)17-11-29-21(25-17)26-18-9-4-14(10-23-18)20(28)27(3)16-7-5-15(22)6-8-16/h4-11H,1-3H3,(H,23,25,26).
What are the key properties of N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 456.00 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 121476973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).