2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide

C16H16N4O2S — CID 123309498

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)C2=NC(c3ccc4c(c3)CCO4)SC2)n[nH]1
InChIInChI=1S/C16H16N4O2S/c1-9-6-14(20-19-9)18-15(21)12-8-23-16(17-12)11-2-3-13-10(7-11)4-5-22-13/h2-3,6-7,16H,4-5,8H2,1H3,(H2,18,19,20,21)
InChIKeyHREGSWWWDJZUMS-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.48
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 123309498) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID123309498
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)C2=NC(c3ccc4c(c3)CCO4)SC2)n[nH]1
InChIInChI=1S/C16H16N4O2S/c1-9-6-14(20-19-9)18-15(21)12-8-23-16(17-12)11-2-3-13-10(7-11)4-5-22-13/h2-3,6-7,16H,4-5,8H2,1H3,(H2,18,19,20,21)
InChIKeyHREGSWWWDJZUMS-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2,5-dihydro-1,3-thiazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxylate
CID 123634450
3-(3,4-dihydro-2H-chromen-6-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 167758778
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155536349
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519291
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
CID 43402766
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115609965
5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide
CID 133108811
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide (CID 123309498) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)C2=NC(c3ccc4c(c3)CCO4)SC2)n[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is HREGSWWWDJZUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-6-14(20-19-9)18-15(21)12-8-23-16(17-12)11-2-3-13-10(7-11)4-5-22-13/h2-3,6-7,16H,4-5,8H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123309498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).