4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one

C14H18N2OS — CID 81462998

IUPAC4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one
SMILESCCCNC(Cc1csc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-8-15-13(11-6-4-3-5-7-11)9-12-10-18-14(17)16-12/h3-7,10,13,15H,2,8-9H2,1H3,(H,16,17)
InChIKeyWURAICMIPLIWBB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.72
Rot. Bonds6

About 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one

4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one (PubChem CID 81462998) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one
PubChem CID81462998
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one
SMILESCCCNC(Cc1csc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-8-15-13(11-6-4-3-5-7-11)9-12-10-18-14(17)16-12/h3-7,10,13,15H,2,8-9H2,1H3,(H,16,17)
InChIKeyWURAICMIPLIWBB-UHFFFAOYSA-N
XLogP2.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(methylamino)-2-phenylethyl]-3H-1,3-thiazol-2-one
CID 81462911
4-[(1-phenylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380017
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
CID 64659428
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467

Frequently Asked Questions

What is the IUPAC name of 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one (CID 81462998) is 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one is CCCNC(Cc1csc(=O)[nH]1)c1ccccc1.
What is the InChIKey of 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
The InChIKey is WURAICMIPLIWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-8-15-13(11-6-4-3-5-7-11)9-12-10-18-14(17)16-12/h3-7,10,13,15H,2,8-9H2,1H3,(H,16,17).
What are the key properties of 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one has a molecular weight of 262.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenyl-2-(propylamino)ethyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81462998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).