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

C17H27N5O2S — CID 92750444

IUPAC(2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H27N5O2S/c1-12(2)8-9-18-15(24)13-6-5-11-21(13)16-19-20-17(25-16)22-10-4-3-7-14(22)23/h12-13H,3-11H2,1-2H3,(H,18,24)/t13-/m0/s1
InChIKeyNETHHYXXGVEXCZ-ZDUSSCGKSA-N
MW365.50 g/mol
LogP2.19
Rot. Bonds6

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

(2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 92750444) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID92750444
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name(2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H27N5O2S/c1-12(2)8-9-18-15(24)13-6-5-11-21(13)16-19-20-17(25-16)22-10-4-3-7-14(22)23/h12-13H,3-11H2,1-2H3,(H,18,24)/t13-/m0/s1
InChIKeyNETHHYXXGVEXCZ-ZDUSSCGKSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-propylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 22513577
N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271420
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 92736855
(2S)-N-[(4-methylphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736824
N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344989
N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271434
(2S)-N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736840
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344951
(2S)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750437
N-[(4-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271444
N-(4-ethylphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 22513546
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 92701446

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 92750444) is (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is CC(C)CCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCCC2=O)s1.
What is the InChIKey of (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is NETHHYXXGVEXCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-12(2)8-9-18-15(24)13-6-5-11-21(13)16-19-20-17(25-16)22-10-4-3-7-14(22)23/h12-13H,3-11H2,1-2H3,(H,18,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92750444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).