1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

C18H21N5O2S — CID 155494686

IUPAC1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)c1nnc(N2CC(C(=O)N3CC(c4ccncc4)C3)CC2=O)s1
InChIInChI=1S/C18H21N5O2S/c1-11(2)16-20-21-18(26-16)23-10-13(7-15(23)24)17(25)22-8-14(9-22)12-3-5-19-6-4-12/h3-6,11,13-14H,7-10H2,1-2H3
InChIKeyQRRKWBYSYPCJHQ-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.04
Rot. Bonds4

About 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 155494686) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
PubChem CID155494686
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)c1nnc(N2CC(C(=O)N3CC(c4ccncc4)C3)CC2=O)s1
InChIInChI=1S/C18H21N5O2S/c1-11(2)16-20-21-18(26-16)23-10-13(7-15(23)24)17(25)22-8-14(9-22)12-3-5-19-6-4-12/h3-6,11,13-14H,7-10H2,1-2H3
InChIKeyQRRKWBYSYPCJHQ-UHFFFAOYSA-N
XLogP2.04
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 155497755
(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95710712
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155504376
N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568494
N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154563569
5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499154
N-(4-hydroxycyclohexyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568327
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154821567
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154566271
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide
CID 155506100

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (CID 155494686) is 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is CC(C)c1nnc(N2CC(C(=O)N3CC(c4ccncc4)C3)CC2=O)s1.
What is the InChIKey of 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is QRRKWBYSYPCJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-11(2)16-20-21-18(26-16)23-10-13(7-15(23)24)17(25)22-8-14(9-22)12-3-5-19-6-4-12/h3-6,11,13-14H,7-10H2,1-2H3.
What are the key properties of 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 371.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 155494686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).