2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole

C17H13N3S — CID 22259263

IUPAC2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H13N3S/c1-11-6-8-12(9-7-11)15-10-21-17(18-15)16-13-4-2-3-5-14(13)19-20-16/h2-10H,1H3,(H,19,20)
InChIKeyWHSFYTXYAQRMGS-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.66
Rot. Bonds2

About 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole

2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 22259263) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
PubChem CID22259263
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H13N3S/c1-11-6-8-12(9-7-11)15-10-21-17(18-15)16-13-4-2-3-5-14(13)19-20-16/h2-10H,1H3,(H,19,20)
InChIKeyWHSFYTXYAQRMGS-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole (CID 22259263) is 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is WHSFYTXYAQRMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-11-6-8-12(9-7-11)15-10-21-17(18-15)16-13-4-2-3-5-14(13)19-20-16/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole?
2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 291.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 22259263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).