3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide

C14H16ClN3OS — CID 125177974

IUPAC3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1Cl)c1nc(C)c(C)s1
InChIInChI=1S/C14H16ClN3OS/c1-4-12(14-17-8(2)9(3)20-14)18-13(19)10-5-6-16-7-11(10)15/h5-7,12H,4H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyUUXOCBMZEIYWMC-LBPRGKRZSA-N
MW309.82 g/mol
LogP3.69
Rot. Bonds4

About 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide

3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (PubChem CID 125177974) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
PubChem CID125177974
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1Cl)c1nc(C)c(C)s1
InChIInChI=1S/C14H16ClN3OS/c1-4-12(14-17-8(2)9(3)20-14)18-13(19)10-5-6-16-7-11(10)15/h5-7,12H,4H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyUUXOCBMZEIYWMC-LBPRGKRZSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
CID 72930807
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
CID 118765250
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (CID 125177974) is 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is CC[C@H](NC(=O)c1ccncc1Cl)c1nc(C)c(C)s1.
What is the InChIKey of 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The InChIKey is UUXOCBMZEIYWMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-4-12(14-17-8(2)9(3)20-14)18-13(19)10-5-6-16-7-11(10)15/h5-7,12H,4H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 125177974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).