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

C15H18N4OS — CID 119325701

IUPACN-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)C3CCCN3)s2)c1
InChIInChI=1S/C15H18N4OS/c1-9-6-10(2)8-11(7-9)14-18-19-15(21-14)17-13(20)12-4-3-5-16-12/h6-8,12,16H,3-5H2,1-2H3,(H,17,19,20)
InChIKeyRWLWPBJHGFAAED-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.51
Rot. Bonds3

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

N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 119325701) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID119325701
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)C3CCCN3)s2)c1
InChIInChI=1S/C15H18N4OS/c1-9-6-10(2)8-11(7-9)14-18-19-15(21-14)17-13(20)12-4-3-5-16-12/h6-8,12,16H,3-5H2,1-2H3,(H,17,19,20)
InChIKeyRWLWPBJHGFAAED-UHFFFAOYSA-N
XLogP2.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321154
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301292
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119787234
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
N-[5-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-5-oxopent-3-en-2-yl]piperidine-2-carboxamide
CID 123596455
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 119325701) is N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is Cc1cc(C)cc(-c2nnc(NC(=O)C3CCCN3)s2)c1.
What is the InChIKey of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is RWLWPBJHGFAAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-6-10(2)8-11(7-9)14-18-19-15(21-14)17-13(20)12-4-3-5-16-12/h6-8,12,16H,3-5H2,1-2H3,(H,17,19,20).
What are the key properties of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119325701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).