N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide

C19H15N3OS — CID 137028291

IUPACN-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H15N3OS/c23-18(21-10-13-6-2-1-3-7-13)17-12-24-19(22-17)15-11-20-16-9-5-4-8-14(15)16/h1-9,11-12,20H,10H2,(H,21,23)
InChIKeyGZUWQNCEDDMGNA-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.22
Rot. Bonds4

About N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide

N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 137028291) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID137028291
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H15N3OS/c23-18(21-10-13-6-2-1-3-7-13)17-12-24-19(22-17)15-11-20-16-9-5-4-8-14(15)16/h1-9,11-12,20H,10H2,(H,21,23)
InChIKeyGZUWQNCEDDMGNA-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide (CID 137028291) is N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GZUWQNCEDDMGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-18(21-10-13-6-2-1-3-7-13)17-12-24-19(22-17)15-11-20-16-9-5-4-8-14(15)16/h1-9,11-12,20H,10H2,(H,21,23).
What are the key properties of N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-indol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137028291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).