N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide

C19H20ClN5OS — CID 118204277

IUPACN-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1
InChIKeyDRHBLXHMGABRON-MRXNPFEDSA-N
MW401.92 g/mol
LogP4.91
Rot. Bonds7

About N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide

N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide (PubChem CID 118204277) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide
PubChem CID118204277
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1
InChIKeyDRHBLXHMGABRON-MRXNPFEDSA-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-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-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-(2-aminoethyl)-5-{2-[(3-chloropyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinamide
CID 57867490
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
4-Thiazolecarboxamide, N-[5-[[[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]thioxomethyl]amino]-2-pyridinyl]-
CID 3010086
2-[(3,5-dichloropyridin-4-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10048470
2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332168
[(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
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 89421561
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide (CID 118204277) is N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide is CCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DRHBLXHMGABRON-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide?
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-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-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118204277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).