1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one

C14H21N3OS — CID 116625212

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2nc(C(C)(C)C)cs2)c1=O
InChIInChI=1S/C14H21N3OS/c1-10(2)17-7-6-16(13(17)18)8-12-15-11(9-19-12)14(3,4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyLZQZGWTVVNZNBG-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.03
Rot. Bonds3

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 116625212) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID116625212
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2nc(C(C)(C)C)cs2)c1=O
InChIInChI=1S/C14H21N3OS/c1-10(2)17-7-6-16(13(17)18)8-12-15-11(9-19-12)14(3,4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyLZQZGWTVVNZNBG-UHFFFAOYSA-N
XLogP3.03
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one (CID 116625212) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(Cc2nc(C(C)(C)C)cs2)c1=O.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is LZQZGWTVVNZNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(2)17-7-6-16(13(17)18)8-12-15-11(9-19-12)14(3,4)5/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 279.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).