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

C16H12N4O2S — CID 42110502

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C16H12N4O2S/c1-20-12(6-7-17-20)15(21)19-16-18-11(9-23-16)14-8-10-4-2-3-5-13(10)22-14/h2-9H,1H3,(H,18,19,21)
InChIKeyMSYYZXDEESAHBQ-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.54
Rot. Bonds3

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

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 42110502) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID42110502
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C16H12N4O2S/c1-20-12(6-7-17-20)15(21)19-16-18-11(9-23-16)14-8-10-4-2-3-5-13(10)22-14/h2-9H,1H3,(H,18,19,21)
InChIKeyMSYYZXDEESAHBQ-UHFFFAOYSA-N
XLogP3.54
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US9862730, Example 47
CID 89880954
3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2406187
N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
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CID 137638928
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CID 166627360
3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8924029
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
4-(1-Benzofuran-2-yl)-2-pyrimidin-2-yl-1,3-thiazole
CID 145988166
4-(1-Benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 2525051
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (CID 42110502) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MSYYZXDEESAHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-20-12(6-7-17-20)15(21)19-16-18-11(9-23-16)14-8-10-4-2-3-5-13(10)22-14/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.54, 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-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).