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

C19H20ClN5OS — CID 118204375

IUPACN-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
SMILESCCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m0/s1
InChIKeyQMMHYPPKJAWXON-INIZCTEOSA-N
MW401.92 g/mol
LogP4.91
Rot. Bonds7

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

N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (PubChem CID 118204375) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
PubChem CID118204375
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
SMILESCCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m0/s1
InChIKeyQMMHYPPKJAWXON-INIZCTEOSA-N
XLogP4.91
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)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
N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 21137599
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}-1,3-thiazole-5-carboxamide
CID 25218461
N-(3-{2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2215490
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
[(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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (CID 118204375) is N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is CCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1.
What is the InChIKey of N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The InChIKey is QMMHYPPKJAWXON-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118204375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).