2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide

C17H20FN3O2S — CID 56792054

IUPAC2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O2S/c1-11(2)19-15(22)9-21(3)17(23)14-10-24-16(20-14)8-12-6-4-5-7-13(12)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,22)
InChIKeyBDGYVCNIVNVUMO-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.47
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide

2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 56792054) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID56792054
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O2S/c1-11(2)19-15(22)9-21(3)17(23)14-10-24-16(20-14)8-12-6-4-5-7-13(12)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,22)
InChIKeyBDGYVCNIVNVUMO-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide 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 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 56792054) is 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide is CC(C)NC(=O)CN(C)C(=O)c1csc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BDGYVCNIVNVUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11(2)19-15(22)9-21(3)17(23)14-10-24-16(20-14)8-12-6-4-5-7-13(12)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide?
2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56792054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).