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

C17H20N4O2S — CID 46327557

IUPAC5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C17H20N4O2S/c1-2-5-14-19-20-16(24-14)15(22)18-13-8-6-12(7-9-13)17(23)21-10-3-4-11-21/h6-9H,2-5,10-11H2,1H3,(H,18,22)
InChIKeyTUGRIQJCBKZRJA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.98
Rot. Bonds5

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

5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46327557) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46327557
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C17H20N4O2S/c1-2-5-14-19-20-16(24-14)15(22)18-13-8-6-12(7-9-13)17(23)21-10-3-4-11-21/h6-9H,2-5,10-11H2,1H3,(H,18,22)
InChIKeyTUGRIQJCBKZRJA-UHFFFAOYSA-N
XLogP2.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327470
N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332729
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
5-[4-(azepan-1-yl)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320288
5-[[4-(4-ethylpiperazine-1-carbonyl)phenoxy]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376669
N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46327584
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
N-(3-methylphenyl)-5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354761
5-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319383
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 46327557) is 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is CCCc1nnc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1.
What is the InChIKey of 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is TUGRIQJCBKZRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-5-14-19-20-16(24-14)15(22)18-13-8-6-12(7-9-13)17(23)21-10-3-4-11-21/h6-9H,2-5,10-11H2,1H3,(H,18,22).
What are the key properties of 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46327557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).