1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one

C18H16N2OS2 — CID 35618395

IUPAC1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCc1ccsc1-c1nc(-c2ccc(N3CCCC3=O)cc2)cs1
InChIInChI=1S/C18H16N2OS2/c1-12-8-10-22-17(12)18-19-15(11-23-18)13-4-6-14(7-5-13)20-9-2-3-16(20)21/h4-8,10-11H,2-3,9H2,1H3
InChIKeyOTEJOVDNIPTSGW-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.97
Rot. Bonds3

About 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one

1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (PubChem CID 35618395) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
PubChem CID35618395
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCc1ccsc1-c1nc(-c2ccc(N3CCCC3=O)cc2)cs1
InChIInChI=1S/C18H16N2OS2/c1-12-8-10-22-17(12)18-19-15(11-23-18)13-4-6-14(7-5-13)20-9-2-3-16(20)21/h4-8,10-11H,2-3,9H2,1H3
InChIKeyOTEJOVDNIPTSGW-UHFFFAOYSA-N
XLogP4.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 35618593
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 35618551
1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 9420097
1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 9398580
1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 94819626
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-morpholin-3-yl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 154746717
4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline
CID 63993468
6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 35618455
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (CID 35618395) is 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is Cc1ccsc1-c1nc(-c2ccc(N3CCCC3=O)cc2)cs1.
What is the InChIKey of 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The InChIKey is OTEJOVDNIPTSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-12-8-10-22-17(12)18-19-15(11-23-18)13-4-6-14(7-5-13)20-9-2-3-16(20)21/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one has a molecular weight of 340.47 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 35618395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).