4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C15H16N4OS2 — CID 30183975

IUPAC4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C15H16N4OS2/c1-9(2)19-12(6-7-16-19)18-14(20)13-10(3)17-15(22-13)11-5-4-8-21-11/h4-9H,1-3H3,(H,18,20)
InChIKeyKJFTWJPSCHBVGD-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.21
Rot. Bonds4

About 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 30183975) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID30183975
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C15H16N4OS2/c1-9(2)19-12(6-7-16-19)18-14(20)13-10(3)17-15(22-13)11-5-4-8-21-11/h4-9H,1-3H3,(H,18,20)
InChIKeyKJFTWJPSCHBVGD-UHFFFAOYSA-N
XLogP4.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052582
2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 78772783
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794761
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
N-(4-imidazol-1-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31410008
1-(4-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 30187349
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 115594896
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide
CID 146075706
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 30183975) is 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KJFTWJPSCHBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-9(2)19-12(6-7-16-19)18-14(20)13-10(3)17-15(22-13)11-5-4-8-21-11/h4-9H,1-3H3,(H,18,20).
What are the key properties of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30183975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).