5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

C21H27N5O2S — CID 46330099

IUPAC5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)N1CCCC1
InChIInChI=1S/C21H27N5O2S/c1-14(26-11-2-3-12-26)9-10-22-18(27)16-5-4-6-17(13-16)23-19(28)21-25-24-20(29-21)15-7-8-15/h4-6,13-15H,2-3,7-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyWEJCUBKXPRHHBC-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.27
Rot. Bonds8

About 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330099) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330099
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)N1CCCC1
InChIInChI=1S/C21H27N5O2S/c1-14(26-11-2-3-12-26)9-10-22-18(27)16-5-4-6-17(13-16)23-19(28)21-25-24-20(29-21)15-7-8-15/h4-6,13-15H,2-3,7-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyWEJCUBKXPRHHBC-UHFFFAOYSA-N
XLogP3.27
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-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

5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330081
5-cyclopropyl-N-[3-[3-[(3S)-3-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871107
N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
CID 46330037
5-(2-methylpropyl)-N-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330025
5-methyl-N-[3-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871048
5-ethyl-N-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329784
N-(3-chlorophenyl)-5-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088643
N-(3-chlorophenyl)-5-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088665
N-(3-chlorophenyl)-5-(1-ethylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
CID 50818906
5-methyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329893
5-[1-(3-methylbutylcarbamoyl)piperidin-4-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971208
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 46330099) is 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is CC(CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)N1CCCC1.
What is the InChIKey of 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WEJCUBKXPRHHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-14(26-11-2-3-12-26)9-10-22-18(27)16-5-4-6-17(13-16)23-19(28)21-25-24-20(29-21)15-7-8-15/h4-6,13-15H,2-3,7-12H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 413.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).