(3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide

C11H14N4OS — CID 92707951

IUPAC(3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide
SMILESCc1csc(NC(=O)C[C@H](C)n2cccn2)n1
InChIInChI=1S/C11H14N4OS/c1-8-7-17-11(13-8)14-10(16)6-9(2)15-5-3-4-12-15/h3-5,7,9H,6H2,1-2H3,(H,13,14,16)/t9-/m0/s1
InChIKeyGHZWUJUMZBHPLV-VIFPVBQESA-N
MW250.33 g/mol
LogP2.24
Rot. Bonds4

About (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide

(3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide (PubChem CID 92707951) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide
PubChem CID92707951
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name(3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide
SMILESCc1csc(NC(=O)C[C@H](C)n2cccn2)n1
InChIInChI=1S/C11H14N4OS/c1-8-7-17-11(13-8)14-10(16)6-9(2)15-5-3-4-12-15/h3-5,7,9H,6H2,1-2H3,(H,13,14,16)/t9-/m0/s1
InChIKeyGHZWUJUMZBHPLV-VIFPVBQESA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide (CID 92707951) is (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide is Cc1csc(NC(=O)C[C@H](C)n2cccn2)n1.
What is the InChIKey of (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide?
The InChIKey is GHZWUJUMZBHPLV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-7-17-11(13-8)14-10(16)6-9(2)15-5-3-4-12-15/h3-5,7,9H,6H2,1-2H3,(H,13,14,16)/t9-/m0/s1.
What are the key properties of (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide?
(3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide has a molecular weight of 250.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92707951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).