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

C16H19N3OS — CID 9420097

IUPAC1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1
InChIInChI=1S/C16H19N3OS/c1-2-9-17-16-18-14(11-21-16)12-5-7-13(8-6-12)19-10-3-4-15(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyQWDQZYBJOLLLAP-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.76
Rot. Bonds5

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

1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (PubChem CID 9420097) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
PubChem CID9420097
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1
InChIInChI=1S/C16H19N3OS/c1-2-9-17-16-18-14(11-21-16)12-5-7-13(8-6-12)19-10-3-4-15(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyQWDQZYBJOLLLAP-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8962774
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 94819626
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 35618395
4-(4-propoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 63473179
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60581699
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482
N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43036524
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (CID 9420097) is 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is CCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1.
What is the InChIKey of 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The InChIKey is QWDQZYBJOLLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-9-17-16-18-14(11-21-16)12-5-7-13(8-6-12)19-10-3-4-15(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,17,18).
What are the key properties of 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one has a molecular weight of 301.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 9420097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).