4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide

C20H16ClN5OS2 — CID 121476942

IUPAC4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide
SMILESCc1nc(C)c(-c2csc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cn3)n2)s1
InChIInChI=1S/C20H16ClN5OS2/c1-11-18(29-12(2)23-11)16-10-28-20(25-16)26-17-8-7-15(9-22-17)24-19(27)13-3-5-14(21)6-4-13/h3-10H,1-2H3,(H,24,27)(H,22,25,26)
InChIKeyUMUQJBWCCDASQY-UHFFFAOYSA-N
MW441.97 g/mol
LogP5.93
Rot. Bonds5

About 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide

4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide (PubChem CID 121476942) has the molecular formula C20H16ClN5OS2 and a molecular weight of 441.97 g/mol. Its IUPAC name is 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide
PubChem CID121476942
Molecular FormulaC20H16ClN5OS2
Molecular Weight441.97 g/mol
Exact Mass441.05
IUPAC Name4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide
SMILESCc1nc(C)c(-c2csc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cn3)n2)s1
InChIInChI=1S/C20H16ClN5OS2/c1-11-18(29-12(2)23-11)16-10-28-20(25-16)26-17-8-7-15(9-22-17)24-19(27)13-3-5-14(21)6-4-13/h3-10H,1-2H3,(H,24,27)(H,22,25,26)
InChIKeyUMUQJBWCCDASQY-UHFFFAOYSA-N
XLogP5.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.97
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 973178
N-(2-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
CID 121476967
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]ethanone
CID 144814251
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476958
[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 144814731
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1S,5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 144814615
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one
CID 134134519
(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476780
9-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 134134782
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 130236059
[3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121477040
5-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-3H-1,3-thiazol-2-one
CID 177179751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide (CID 121476942) is 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide is Cc1nc(C)c(-c2csc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cn3)n2)s1.
What is the InChIKey of 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide?
The InChIKey is UMUQJBWCCDASQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5OS2/c1-11-18(29-12(2)23-11)16-10-28-20(25-16)26-17-8-7-15(9-22-17)24-19(27)13-3-5-14(21)6-4-13/h3-10H,1-2H3,(H,24,27)(H,22,25,26).
What are the key properties of 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide?
4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide has a molecular weight of 441.97 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 121476942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).