N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C13H14ClN3OS — CID 71111592

IUPACN-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-3-8(2)16-12(18)10-11(14)17-13(19-10)9-5-4-6-15-7-9/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyAMVVIEBYVPYNJD-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.39
Rot. Bonds4

About N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71111592) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID71111592
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-3-8(2)16-12(18)10-11(14)17-13(19-10)9-5-4-6-15-7-9/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyAMVVIEBYVPYNJD-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 90086309
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 123366475
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114305
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114674
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90086251
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylbutanehydrazide
CID 118944679
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 71111592) is N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is CCC(C)NC(=O)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is AMVVIEBYVPYNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-3-8(2)16-12(18)10-11(14)17-13(19-10)9-5-4-6-15-7-9/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71111592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).