(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide

C11H14N4OS — CID 94036213

IUPAC(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1csc(CNC(=O)[C@H](C)n2cccn2)n1
InChIInChI=1S/C11H14N4OS/c1-8-7-17-10(14-8)6-12-11(16)9(2)15-5-3-4-13-15/h3-5,7,9H,6H2,1-2H3,(H,12,16)/t9-/m0/s1
InChIKeyKHDRBPFVDFHHHW-VIFPVBQESA-N
MW250.33 g/mol
LogP1.53
Rot. Bonds4

About (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 94036213) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID94036213
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1csc(CNC(=O)[C@H](C)n2cccn2)n1
InChIInChI=1S/C11H14N4OS/c1-8-7-17-10(14-8)6-12-11(16)9(2)15-5-3-4-13-15/h3-5,7,9H,6H2,1-2H3,(H,12,16)/t9-/m0/s1
InChIKeyKHDRBPFVDFHHHW-VIFPVBQESA-N
XLogP1.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 47163720
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55208431
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008
(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 95906882
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 122353805
(2R)-2-(4-methoxyphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 30955486

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide (CID 94036213) is (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide is Cc1csc(CNC(=O)[C@H](C)n2cccn2)n1.
What is the InChIKey of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is KHDRBPFVDFHHHW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-7-17-10(14-8)6-12-11(16)9(2)15-5-3-4-13-15/h3-5,7,9H,6H2,1-2H3,(H,12,16)/t9-/m0/s1.
What are the key properties of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 250.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 94036213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).