5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

C15H16N4O2S — CID 46327470

IUPAC5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C15H16N4O2S/c1-10-17-18-14(22-10)13(20)16-12-6-4-11(5-7-12)15(21)19-8-2-3-9-19/h4-7H,2-3,8-9H2,1H3,(H,16,20)
InChIKeyZORYOPCJHRPFEZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.33
Rot. Bonds3

About 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46327470) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46327470
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C15H16N4O2S/c1-10-17-18-14(22-10)13(20)16-12-6-4-11(5-7-12)15(21)19-8-2-3-9-19/h4-7H,2-3,8-9H2,1H3,(H,16,20)
InChIKeyZORYOPCJHRPFEZ-UHFFFAOYSA-N
XLogP2.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327557
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332729
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
5-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 2970344
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911430
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[4-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46327513
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 46327470) is 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is Cc1nnc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1.
What is the InChIKey of 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZORYOPCJHRPFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-17-18-14(22-10)13(20)16-12-6-4-11(5-7-12)15(21)19-8-2-3-9-19/h4-7H,2-3,8-9H2,1H3,(H,16,20).
What are the key properties of 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46327470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).