2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

C13H18N4OS — CID 50968801

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCc1nc(CC(=O)NC(C)CCn2cccn2)cs1
InChIInChI=1S/C13H18N4OS/c1-10(4-7-17-6-3-5-14-17)15-13(18)8-12-9-19-11(2)16-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,18)
InChIKeyTZIKLHYTLDDNBA-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.79
Rot. Bonds6

About 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (PubChem CID 50968801) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
PubChem CID50968801
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCc1nc(CC(=O)NC(C)CCn2cccn2)cs1
InChIInChI=1S/C13H18N4OS/c1-10(4-7-17-6-3-5-14-17)15-13(18)8-12-9-19-11(2)16-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,18)
InChIKeyTZIKLHYTLDDNBA-UHFFFAOYSA-N
XLogP1.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 45819880
1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828496
1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47223734
n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
2-tert-butyl-4-methyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537766
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
2-methyl-4-{2-oxo-2-[2-(1H-pyrazol-1-ylmethyl)-1-pyrrolidinyl]ethyl}-1,3-thiazole
CID 53603251
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 53621505
2-(2-Methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779012
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779293
N,N-dimethyl-2-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 56781073

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (CID 50968801) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is Cc1nc(CC(=O)NC(C)CCn2cccn2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The InChIKey is TZIKLHYTLDDNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10(4-7-17-6-3-5-14-17)15-13(18)8-12-9-19-11(2)16-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,18).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 50968801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).