N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride

C13H14BrClN4OS — CID 119321154

IUPACN-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(-c2cccc(Br)c2)s1)C1CCCN1
InChIInChI=1S/C13H13BrN4OS.ClH/c14-9-4-1-3-8(7-9)12-17-18-13(20-12)16-11(19)10-5-2-6-15-10;/h1,3-4,7,10,15H,2,5-6H2,(H,16,18,19);1H
InChIKeyXRSIGTZVJZKNDY-UHFFFAOYSA-N
MW389.71 g/mol
LogP3.08
Rot. Bonds3

About N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride

N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119321154) has the molecular formula C13H14BrClN4OS and a molecular weight of 389.71 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119321154
Molecular FormulaC13H14BrClN4OS
Molecular Weight389.71 g/mol
Exact Mass387.98
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(-c2cccc(Br)c2)s1)C1CCCN1
InChIInChI=1S/C13H13BrN4OS.ClH/c14-9-4-1-3-8(7-9)12-17-18-13(20-12)16-11(19)10-5-2-6-15-10;/h1,3-4,7,10,15H,2,5-6H2,(H,16,18,19);1H
InChIKeyXRSIGTZVJZKNDY-UHFFFAOYSA-N
XLogP3.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.71
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride 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

N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119325701
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301292
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120589505
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836094
N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 3959448
N-(5-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 119287690
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119321154) is N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(-c2cccc(Br)c2)s1)C1CCCN1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XRSIGTZVJZKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4OS.ClH/c14-9-4-1-3-8(7-9)12-17-18-13(20-12)16-11(19)10-5-2-6-15-10;/h1,3-4,7,10,15H,2,5-6H2,(H,16,18,19);1H.
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 389.71 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119321154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).