N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide

C17H18ClN5OS2 — CID 122184231

IUPACN-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1
InChIInChI=1S/C17H18ClN5OS2/c1-3-4-13(22-16(24)17-19-5-6-25-17)11-7-12(18)15(21-8-11)23-14-9-20-10(2)26-14/h5-9,13H,3-4H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyLEQMVFLCHQFJKY-CYBMUJFWSA-N
MW407.95 g/mol
LogP4.97
Rot. Bonds7

About N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide

N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (PubChem CID 122184231) has the molecular formula C17H18ClN5OS2 and a molecular weight of 407.95 g/mol. Its IUPAC name is N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
PubChem CID122184231
Molecular FormulaC17H18ClN5OS2
Molecular Weight407.95 g/mol
Exact Mass407.06
IUPAC NameN-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1
InChIInChI=1S/C17H18ClN5OS2/c1-3-4-13(22-16(24)17-19-5-6-25-17)11-7-12(18)15(21-8-11)23-14-9-20-10(2)26-14/h5-9,13H,3-4H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyLEQMVFLCHQFJKY-CYBMUJFWSA-N
XLogP4.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-alkylamide derivative 1
CID 118204326
[(6S)-6-[[(5-chloro-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 71622266
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide
CID 118204277
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 118204279
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
CID 118204291
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]propyl]-1,3-thiazole-2-carboxamide
CID 118204292
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide
CID 118204293
[2-[5-Chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 118204300
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2,2-dimethylpropyl]-1,3-thiazole-2-carboxamide
CID 118204306
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopentylmethyl]-1,3-thiazole-2-carboxamide
CID 118204307
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
CID 118204308
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]but-3-enyl]-1,3-thiazole-2-carboxamide
CID 118204339

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (CID 122184231) is N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The InChIKey is LEQMVFLCHQFJKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClN5OS2/c1-3-4-13(22-16(24)17-19-5-6-25-17)11-7-12(18)15(21-8-11)23-14-9-20-10(2)26-14/h5-9,13H,3-4H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide has a molecular weight of 407.95 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-chloro-6-[(2-methyl-1,3-thiazol-5-yl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122184231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).