N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide

C18H14N4OS — CID 90656737

IUPACN-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H14N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)20-16-11-19-15(24-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,23)(H,21,22)
InChIKeySKWPCSIAOSHOSL-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.86
Rot. Bonds4

About N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide

N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (PubChem CID 90656737) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
PubChem CID90656737
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H14N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)20-16-11-19-15(24-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,23)(H,21,22)
InChIKeySKWPCSIAOSHOSL-UHFFFAOYSA-N
XLogP3.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (CID 90656737) is N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is O=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is SKWPCSIAOSHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)20-16-11-19-15(24-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,23)(H,21,22).
What are the key properties of N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 90656737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).