(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide

C10H12N4OS — CID 92707943

IUPAC(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
SMILESC[C@@H](CC(=O)Nc1nccs1)n1cccn1
InChIInChI=1S/C10H12N4OS/c1-8(14-5-2-3-12-14)7-9(15)13-10-11-4-6-16-10/h2-6,8H,7H2,1H3,(H,11,13,15)/t8-/m0/s1
InChIKeyBJRRBNHHPUMPRM-QMMMGPOBSA-N
MW236.30 g/mol
LogP1.93
Rot. Bonds4

About (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide

(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 92707943) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID92707943
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
SMILESC[C@@H](CC(=O)Nc1nccs1)n1cccn1
InChIInChI=1S/C10H12N4OS/c1-8(14-5-2-3-12-14)7-9(15)13-10-11-4-6-16-10/h2-6,8H,7H2,1H3,(H,11,13,15)/t8-/m0/s1
InChIKeyBJRRBNHHPUMPRM-QMMMGPOBSA-N
XLogP1.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4766010
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 45820427
N-(2-propan-2-ylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 48394445
N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
N-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607494
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 56780497
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807
2-(6-oxo-3-(1H-pyrazol-1-yl)pyridazin-1(6H)-yl)-N-(thiazol-2-yl)acetamide
CID 56724584
2-(1H-pyrazol-1-yl)-N-(1-(thiazol-2-yl)piperidin-4-yl)acetamide
CID 71810037
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35747581
3-Pyrazol-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45802547

Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide (CID 92707943) is (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide is C[C@@H](CC(=O)Nc1nccs1)n1cccn1.
What is the InChIKey of (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is BJRRBNHHPUMPRM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-8(14-5-2-3-12-14)7-9(15)13-10-11-4-6-16-10/h2-6,8H,7H2,1H3,(H,11,13,15)/t8-/m0/s1.
What are the key properties of (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
(3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 236.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 92707943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).