(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide

C13H17ClN4OS — CID 97141074

IUPAC(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCCc1nc(C)c(Cl)s1)n1cccn1
InChIInChI=1S/C13H17ClN4OS/c1-3-10(18-8-4-6-16-18)13(19)15-7-5-11-17-9(2)12(14)20-11/h4,6,8,10H,3,5,7H2,1-2H3,(H,15,19)/t10-/m1/s1
InChIKeyVVVSCOMYGCVWTM-SNVBAGLBSA-N
MW312.83 g/mol
LogP2.61
Rot. Bonds6

About (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide

(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97141074) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
PubChem CID97141074
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCCc1nc(C)c(Cl)s1)n1cccn1
InChIInChI=1S/C13H17ClN4OS/c1-3-10(18-8-4-6-16-18)13(19)15-7-5-11-17-9(2)12(14)20-11/h4,6,8,10H,3,5,7H2,1-2H3,(H,15,19)/t10-/m1/s1
InChIKeyVVVSCOMYGCVWTM-SNVBAGLBSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide with MolForge

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Related Compounds

(2S)-N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97119973
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 72862860
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72837875
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149299
(2S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 124730361
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 97133199
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 91843238
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
CID 97144566
(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
CID 97150944
(2R)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97122669
(2R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 126436910
(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide (CID 97141074) is (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)NCCc1nc(C)c(Cl)s1)n1cccn1.
What is the InChIKey of (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is VVVSCOMYGCVWTM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN4OS/c1-3-10(18-8-4-6-16-18)13(19)15-7-5-11-17-9(2)12(14)20-11/h4,6,8,10H,3,5,7H2,1-2H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide?
(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 312.83 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97141074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).