N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

C13H13N3O2S — CID 45495603

IUPACN-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NC2CC2)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-10-6-2-8(3-7-10)11-12(19-16-15-11)13(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17)
InChIKeyHBFGGTCHNXPBHX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.11
Rot. Bonds4

About N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 45495603) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID45495603
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NC2CC2)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-10-6-2-8(3-7-10)11-12(19-16-15-11)13(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17)
InChIKeyHBFGGTCHNXPBHX-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-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

4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-methylbutanoate
CID 45495391
4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794690
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794688
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 51721595
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 45492013

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (CID 45495603) is N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is HBFGGTCHNXPBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-10-6-2-8(3-7-10)11-12(19-16-15-11)13(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17).
What are the key properties of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45495603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).