3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide

C18H13ClN4OS — CID 55665946

IUPAC3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2nnc(-c3ccccc3)s2)c(Cl)c2ccccc21
InChIInChI=1S/C18H13ClN4OS/c1-23-13-10-6-5-9-12(13)14(19)15(23)16(24)20-18-22-21-17(25-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,22,24)
InChIKeyVRAKYFLQEBFQDW-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.60
Rot. Bonds3

About 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide

3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide (PubChem CID 55665946) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
PubChem CID55665946
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2nnc(-c3ccccc3)s2)c(Cl)c2ccccc21
InChIInChI=1S/C18H13ClN4OS/c1-23-13-10-6-5-9-12(13)14(19)15(23)16(24)20-18-22-21-17(25-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,22,24)
InChIKeyVRAKYFLQEBFQDW-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 71896592
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
CID 154834350
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
CID 55666003
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 24649242
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
4-oxo-3-pentyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide
CID 60592484
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134015511
1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35565819

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide?
The IUPAC name of 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide (CID 55665946) is 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide.
What is the SMILES notation for 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide?
The canonical SMILES for 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide is Cn1c(C(=O)Nc2nnc(-c3ccccc3)s2)c(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide?
The InChIKey is VRAKYFLQEBFQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c1-23-13-10-6-5-9-12(13)14(19)15(23)16(24)20-18-22-21-17(25-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,22,24).
What are the key properties of 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide?
3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide is sourced from PubChem (CID 55665946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).