2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide

C13H18N4OS — CID 74241269

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCc1nc(C)c(CC(=O)N(C)CCn2cccn2)s1
InChIInChI=1S/C13H18N4OS/c1-10-12(19-11(2)15-10)9-13(18)16(3)7-8-17-6-4-5-14-17/h4-6H,7-9H2,1-3H3
InChIKeyFYDDUZFHMCQANK-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.66
Rot. Bonds5

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 74241269) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID74241269
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCc1nc(C)c(CC(=O)N(C)CCn2cccn2)s1
InChIInChI=1S/C13H18N4OS/c1-10-12(19-11(2)15-10)9-13(18)16(3)7-8-17-6-4-5-14-17/h4-6H,7-9H2,1-3H3
InChIKeyFYDDUZFHMCQANK-UHFFFAOYSA-N
XLogP1.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide (CID 74241269) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide is Cc1nc(C)c(CC(=O)N(C)CCn2cccn2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is FYDDUZFHMCQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-12(19-11(2)15-10)9-13(18)16(3)7-8-17-6-4-5-14-17/h4-6H,7-9H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 74241269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).