N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide

C17H14N4O2S — CID 16952894

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)n(C)n1
InChIInChI=1S/C17H14N4O2S/c1-10-7-13(21(2)20-10)16(22)19-17-18-12(9-24-17)15-8-11-5-3-4-6-14(11)23-15/h3-9H,1-2H3,(H,18,19,22)
InChIKeyDGUASRZHVNIHPE-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.85
Rot. Bonds3

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952894) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID16952894
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)n(C)n1
InChIInChI=1S/C17H14N4O2S/c1-10-7-13(21(2)20-10)16(22)19-17-18-12(9-24-17)15-8-11-5-3-4-6-14(11)23-15/h3-9H,1-2H3,(H,18,19,22)
InChIKeyDGUASRZHVNIHPE-UHFFFAOYSA-N
XLogP3.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
CID 2091972
1-(4-(Benzofuran-2-yl)thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 2327992
N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2603902
4-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 4679644
1-(4-(Benzofuran-2-yl)thiazol-2-yl)-3-(p-tolyl)urea
CID 30349444
4-(1-benzofuran-2-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89422218
4-(1-Benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370900
(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 17491683
1-(4-(Benzofuran-2-yl)thiazol-2-yl)-3-(4-fluorophenyl)urea
CID 30349446

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 16952894) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)n(C)n1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DGUASRZHVNIHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-7-13(21(2)20-10)16(22)19-17-18-12(9-24-17)15-8-11-5-3-4-6-14(11)23-15/h3-9H,1-2H3,(H,18,19,22).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).