N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide

C17H19N5O3S — CID 55816993

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H19N5O3S/c23-13-4-2-1-3-12(13)15(24)21-7-9-22(10-8-21)17(25)18-16-20-19-14(26-16)11-5-6-11/h1-4,11,23H,5-10H2,(H,18,20,25)
InChIKeyJDZCTXMTASCQSO-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.11
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide (PubChem CID 55816993) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
PubChem CID55816993
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H19N5O3S/c23-13-4-2-1-3-12(13)15(24)21-7-9-22(10-8-21)17(25)18-16-20-19-14(26-16)11-5-6-11/h1-4,11,23H,5-10H2,(H,18,20,25)
InChIKeyJDZCTXMTASCQSO-UHFFFAOYSA-N
XLogP2.11
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-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

(3S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazine-1-carboxamide
CID 166236076
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51053799
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78892976
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea
CID 51080161
N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 71889407

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide (CID 55816993) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide is O=C(Nc1nnc(C2CC2)s1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The InChIKey is JDZCTXMTASCQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c23-13-4-2-1-3-12(13)15(24)21-7-9-22(10-8-21)17(25)18-16-20-19-14(26-16)11-5-6-11/h1-4,11,23H,5-10H2,(H,18,20,25).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 55816993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).