N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide

C18H20N4O2S — CID 38485260

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)[nH]c2c1
InChIInChI=1S/C18H20N4O2S/c1-24-13-8-7-12-9-15(19-14(12)10-13)16(23)20-18-22-21-17(25-18)11-5-3-2-4-6-11/h7-11,19H,2-6H2,1H3,(H,20,22,23)
InChIKeyJQNFVGDETZJQOX-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.33
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 38485260) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID38485260
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)[nH]c2c1
InChIInChI=1S/C18H20N4O2S/c1-24-13-8-7-12-9-15(19-14(12)10-13)16(23)20-18-22-21-17(25-18)11-5-3-2-4-6-11/h7-11,19H,2-6H2,1H3,(H,20,22,23)
InChIKeyJQNFVGDETZJQOX-UHFFFAOYSA-N
XLogP4.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
CID 86881719
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38429837
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 22198602
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-2-carboxamide
CID 47155094
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 2370286
2-(2-fluoro-5-methoxyphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-fluoro-5-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163388
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide
CID 46445574

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide (CID 38485260) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)[nH]c2c1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is JQNFVGDETZJQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-24-13-8-7-12-9-15(19-14(12)10-13)16(23)20-18-22-21-17(25-18)11-5-3-2-4-6-11/h7-11,19H,2-6H2,1H3,(H,20,22,23).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 38485260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).