7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide

C16H17ClN4OS — CID 108804079

IUPAC7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cc3cccc(Cl)c3[nH]2)s1
InChIInChI=1S/C16H17ClN4OS/c1-3-9(4-2)15-20-21-16(23-15)19-14(22)12-8-10-6-5-7-11(17)13(10)18-12/h5-9,18H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyXFHZBTRISMDJMK-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.83
Rot. Bonds5

About 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide

7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 108804079) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID108804079
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2cc3cccc(Cl)c3[nH]2)s1
InChIInChI=1S/C16H17ClN4OS/c1-3-9(4-2)15-20-21-16(23-15)19-14(22)12-8-10-6-5-7-11(17)13(10)18-12/h5-9,18H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyXFHZBTRISMDJMK-UHFFFAOYSA-N
XLogP4.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 108745567
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
3-chloro-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 24657096
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-nitro-1H-indole-2-carboxamide
CID 55978903

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide (CID 108804079) is 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide is CCC(CC)c1nnc(NC(=O)c2cc3cccc(Cl)c3[nH]2)s1.
What is the InChIKey of 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is XFHZBTRISMDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-3-9(4-2)15-20-21-16(23-15)19-14(22)12-8-10-6-5-7-11(17)13(10)18-12/h5-9,18H,3-4H2,1-2H3,(H,19,21,22).
What are the key properties of 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108804079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).