5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole

C17H13N3S — CID 122510941

IUPAC5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2ncsc2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C17H13N3S/c1-11-3-2-4-12(7-11)16-17(21-10-18-16)13-5-6-15-14(8-13)9-19-20-15/h2-10H,1H3,(H,19,20)
InChIKeyIXGXXRPDORFISE-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.66
Rot. Bonds2

About 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole

5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole (PubChem CID 122510941) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole
PubChem CID122510941
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2ncsc2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C17H13N3S/c1-11-3-2-4-12(7-11)16-17(21-10-18-16)13-5-6-15-14(8-13)9-19-20-15/h2-10H,1H3,(H,19,20)
InChIKeyIXGXXRPDORFISE-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole (CID 122510941) is 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole is Cc1cccc(-c2ncsc2-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole?
The InChIKey is IXGXXRPDORFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-11-3-2-4-12(7-11)16-17(21-10-18-16)13-5-6-15-14(8-13)9-19-20-15/h2-10H,1H3,(H,19,20).
What are the key properties of 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole?
5-(1H-indazol-5-yl)-4-(3-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 5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 122510941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).