3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one

C8H10ClN3OS — CID 130718526

IUPAC3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ncc(Cl)s2)C1=O
InChIInChI=1S/C8H10ClN3OS/c1-12-3-2-5(7(12)13)11-8-10-4-6(9)14-8/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyUFDQPPRPPINZOD-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.44
Rot. Bonds2

About 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one

3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 130718526) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID130718526
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ncc(Cl)s2)C1=O
InChIInChI=1S/C8H10ClN3OS/c1-12-3-2-5(7(12)13)11-8-10-4-6(9)14-8/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyUFDQPPRPPINZOD-UHFFFAOYSA-N
XLogP1.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Chloro-1,3-thiazol-2-yl)-2-(diethylamino)ethanimidic acid--hydrogen chloride (1/1)
CID 215121
N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 71863884
N-(5-chloro-1,3-thiazol-2-yl)-2-(diethylamino)acetamide
CID 215122
1-Propan-2-yl-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
CID 133509066
(3S)-3-amino-1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one;hydrochloride
CID 69752730
(3S)-3-amino-1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 69752731
3-Amino-1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one;hydrochloride
CID 69752734
3-Amino-1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 69752735
2-[2-Oxo-3-(1,3-thiazol-2-ylcarbamoylamino)pyrrolidin-1-yl]acetamide
CID 141007615
(5-Chloro-1,3-thiazol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 170768137
N1-(5-Chloro-2-thiazolyl)-N2-hexylethanediamide
CID 5029698
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 17034824

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one (CID 130718526) is 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2ncc(Cl)s2)C1=O.
What is the InChIKey of 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is UFDQPPRPPINZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c1-12-3-2-5(7(12)13)11-8-10-4-6(9)14-8/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one?
3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 231.71 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130718526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).