2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C11H14N4OS — CID 47445429

IUPAC2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cnn(C)c2)cs1
InChIInChI=1S/C11H14N4OS/c1-8-14-10(7-17-8)11(16)12-4-3-9-5-13-15(2)6-9/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyKYXQUQJMQPUZOW-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.16
Rot. Bonds4

About 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 47445429) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID47445429
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cnn(C)c2)cs1
InChIInChI=1S/C11H14N4OS/c1-8-14-10(7-17-8)11(16)12-4-3-9-5-13-15(2)6-9/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyKYXQUQJMQPUZOW-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 110474312
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 86968215
2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 112730158
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
5-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 113436378
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 47445429) is 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCc2cnn(C)c2)cs1.
What is the InChIKey of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KYXQUQJMQPUZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-14-10(7-17-8)11(16)12-4-3-9-5-13-15(2)6-9/h5-7H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47445429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).