2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide

C17H13N5OS — CID 155927403

IUPAC2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C17H13N5OS/c23-16(19-13-6-7-14-11(8-13)9-18-22-14)15-10-24-17(21-15)20-12-4-2-1-3-5-12/h1-10H,(H,18,22)(H,19,23)(H,20,21)
InChIKeyCYVGSDYVNUNREA-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.02
Rot. Bonds4

About 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide

2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 155927403) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID155927403
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C17H13N5OS/c23-16(19-13-6-7-14-11(8-13)9-18-22-14)15-10-24-17(21-15)20-12-4-2-1-3-5-12/h1-10H,(H,18,22)(H,19,23)(H,20,21)
InChIKeyCYVGSDYVNUNREA-UHFFFAOYSA-N
XLogP4.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide (CID 155927403) is 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CYVGSDYVNUNREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-16(19-13-6-7-14-11(8-13)9-18-22-14)15-10-24-17(21-15)20-12-4-2-1-3-5-12/h1-10H,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1H-indazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155927403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).