(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one

C14H22N2OS — CID 97284135

IUPAC(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1nc(CN2C[C@@H](CC(C)C)CC2=O)cs1
InChIInChI=1S/C14H22N2OS/c1-4-13-15-12(9-18-13)8-16-7-11(5-10(2)3)6-14(16)17/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyRSVLMRISNZVQSZ-NSHDSACASA-N
MW266.41 g/mol
LogP3.10
Rot. Bonds5

About (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one

(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 97284135) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
PubChem CID97284135
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1nc(CN2C[C@@H](CC(C)C)CC2=O)cs1
InChIInChI=1S/C14H22N2OS/c1-4-13-15-12(9-18-13)8-16-7-11(5-10(2)3)6-14(16)17/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyRSVLMRISNZVQSZ-NSHDSACASA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
CID 97273176
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669914
[1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675423
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one
CID 166734845
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717155
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713827
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104511155
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72840691
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512303

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one (CID 97284135) is (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one is CCc1nc(CN2C[C@@H](CC(C)C)CC2=O)cs1.
What is the InChIKey of (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is RSVLMRISNZVQSZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-13-15-12(9-18-13)8-16-7-11(5-10(2)3)6-14(16)17/h9-11H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one?
(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 266.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 97284135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).