4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C21H20N6OS — CID 155913971

IUPAC4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C21H20N6OS/c1-3-17-18(29-20(25-17)19-22-9-5-10-23-19)21(28)26(2)14-15-7-4-8-16(13-15)27-12-6-11-24-27/h4-13H,3,14H2,1-2H3
InChIKeyJIKAXNQCJPGOKP-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.62
Rot. Bonds6

About 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 155913971) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID155913971
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C21H20N6OS/c1-3-17-18(29-20(25-17)19-22-9-5-10-23-19)21(28)26(2)14-15-7-4-8-16(13-15)27-12-6-11-24-27/h4-13H,3,14H2,1-2H3
InChIKeyJIKAXNQCJPGOKP-UHFFFAOYSA-N
XLogP3.62
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154571647
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 70711091
4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155505936
(3-pyrazol-1-ylphenyl) 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 154799074
N,3,5-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90649991
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
N,5-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 70760252
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 155913971) is 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cccc(-n2cccn2)c1.
What is the InChIKey of 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JIKAXNQCJPGOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-3-17-18(29-20(25-17)19-22-9-5-10-23-19)21(28)26(2)14-15-7-4-8-16(13-15)27-12-6-11-24-27/h4-13H,3,14H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155913971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).