4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

C18H17N3OS — CID 2370900

IUPAC4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3cc4ccccc4o3)cs2)n1
InChIInChI=1S/C18H17N3OS/c1-12-9-13(2)21(20-12)8-7-18-19-15(11-23-18)17-10-14-5-3-4-6-16(14)22-17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNGYAZMGKDHWXCI-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.61
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 2370900) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
PubChem CID2370900
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3cc4ccccc4o3)cs2)n1
InChIInChI=1S/C18H17N3OS/c1-12-9-13(2)21(20-12)8-7-18-19-15(11-23-18)17-10-14-5-3-4-6-16(14)22-17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNGYAZMGKDHWXCI-UHFFFAOYSA-N
XLogP4.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole
CID 2372900
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(5-methylfuran-2-yl)-1,3-thiazole
CID 4442946
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
CID 166630923
(Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 6023798
2-[[4-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 166629501
2-[[4-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,3-benzothiazole
CID 166635559
4-(1-Benzofuran-2-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 2525051
2-[1-Tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1,3-benzothiazole
CID 172445484
4-(1-benzofuran-2-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-thiazol-2-amine
CID 76329790
(4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl)methanamine
CID 24251519
N-(4-(benzofuran-2-yl)thiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952894
N-(4-(benzofuran-2-yl)thiazol-2-yl)-1-ethyl-5-methyl-1H-pyrazole-3-carboxamide
CID 25855666

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (CID 2370900) is 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3cc4ccccc4o3)cs2)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is NGYAZMGKDHWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-9-13(2)21(20-12)8-7-18-19-15(11-23-18)17-10-14-5-3-4-6-16(14)22-17/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 323.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 2370900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).