2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide

C16H19FN2O2S — CID 110021509

IUPAC2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CCCO)NC(=O)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2O2S/c1-11(4-3-7-20)18-16(21)14-10-22-15(19-14)9-12-5-2-6-13(17)8-12/h2,5-6,8,10-11,20H,3-4,7,9H2,1H3,(H,18,21)
InChIKeyWELKMQAYFBNFAX-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.76
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide

2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 110021509) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID110021509
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CCCO)NC(=O)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2O2S/c1-11(4-3-7-20)18-16(21)14-10-22-15(19-14)9-12-5-2-6-13(17)8-12/h2,5-6,8,10-11,20H,3-4,7,9H2,1H3,(H,18,21)
InChIKeyWELKMQAYFBNFAX-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-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-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide (CID 110021509) is 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide is CC(CCCO)NC(=O)c1csc(Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WELKMQAYFBNFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-11(4-3-7-20)18-16(21)14-10-22-15(19-14)9-12-5-2-6-13(17)8-12/h2,5-6,8,10-11,20H,3-4,7,9H2,1H3,(H,18,21).
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide?
2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110021509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).