2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide

C13H18N4OS — CID 50966447

IUPAC2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)CCn2cccn2)s1
InChIInChI=1S/C13H18N4OS/c1-4-11-15-10(2)12(19-11)13(18)16(3)8-9-17-7-5-6-14-17/h5-7H,4,8-9H2,1-3H3
InChIKeyLZSQVWLFOKERRL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds5

About 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide

2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 50966447) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID50966447
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)CCn2cccn2)s1
InChIInChI=1S/C13H18N4OS/c1-4-11-15-10(2)12(19-11)13(18)16(3)8-9-17-7-5-6-14-17/h5-7H,4,8-9H2,1-3H3
InChIKeyLZSQVWLFOKERRL-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629001
N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935904
2-tert-butyl-N-methyl-N-(2-pyrazol-1-ylethyl)tetrazole-5-carboxamide
CID 146107580
2-(methoxymethyl)-N,4-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110374824
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
N,5-dimethyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77091738
N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387096
(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 97269540
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 119886219
N-methyl-N-(2-pyrazol-1-ylethyl)-2-(2H-tetrazol-5-yl)benzamide
CID 74236191
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 56750009
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 50966447) is 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)N(C)CCn2cccn2)s1.
What is the InChIKey of 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LZSQVWLFOKERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-11-15-10(2)12(19-11)13(18)16(3)8-9-17-7-5-6-14-17/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50966447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).