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

C12H21ClN4OS — CID 119344857

IUPACN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(CNC(=O)C2CCCN2)s1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)11-16-15-9(18-11)7-14-10(17)8-5-4-6-13-8;/h8,13H,4-7H2,1-3H3,(H,14,17);1H
InChIKeyLAOFERHHFIQPRL-UHFFFAOYSA-N
MW304.85 g/mol
LogP1.63
Rot. Bonds3

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

N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119344857) has the molecular formula C12H21ClN4OS and a molecular weight of 304.85 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119344857
Molecular FormulaC12H21ClN4OS
Molecular Weight304.85 g/mol
Exact Mass304.11
IUPAC NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(CNC(=O)C2CCCN2)s1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)11-16-15-9(18-11)7-14-10(17)8-5-4-6-13-8;/h8,13H,4-7H2,1-3H3,(H,14,17);1H
InChIKeyLAOFERHHFIQPRL-UHFFFAOYSA-N
XLogP1.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]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-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119820943
4-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 104901151
(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119820909
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897337
(2S)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081747
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
(2S)-N-[[2,4,6-triethyl-3,5-bis[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 50906055
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
CID 119344847
(2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891816

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119344857) is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)c1nnc(CNC(=O)C2CCCN2)s1.Cl.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LAOFERHHFIQPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS.ClH/c1-12(2,3)11-16-15-9(18-11)7-14-10(17)8-5-4-6-13-8;/h8,13H,4-7H2,1-3H3,(H,14,17);1H.
What are the key properties of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 304.85 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119344857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).