N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

C18H14N4O2S — CID 45492112

IUPACN-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H14N4O2S/c1-24-14-5-2-11(3-6-14)16-17(25-22-21-16)18(23)20-13-4-7-15-12(10-13)8-9-19-15/h2-10,19H,1H3,(H,20,23)
InChIKeyRITIGDLDQZPAQD-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.95
Rot. Bonds4

About N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 45492112) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID45492112
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H14N4O2S/c1-24-14-5-2-11(3-6-14)16-17(25-22-21-16)18(23)20-13-4-7-15-12(10-13)8-9-19-15/h2-10,19H,1H3,(H,20,23)
InChIKeyRITIGDLDQZPAQD-UHFFFAOYSA-N
XLogP3.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100775097
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100750933
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-methylbutanoate
CID 45495391

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (CID 45492112) is N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)Nc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is RITIGDLDQZPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-24-14-5-2-11(3-6-14)16-17(25-22-21-16)18(23)20-13-4-7-15-12(10-13)8-9-19-15/h2-10,19H,1H3,(H,20,23).
What are the key properties of N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45492112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).