N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C14H17F2N3O3S — CID 138036888

IUPACN-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)noc2C)sc1C(=O)NC(CO)CC(F)F
InChIInChI=1S/C14H17F2N3O3S/c1-6-11(8(3)22-19-6)14-17-7(2)12(23-14)13(21)18-9(5-20)4-10(15)16/h9-10,20H,4-5H2,1-3H3,(H,18,21)
InChIKeyDZZBSSBDHASZMT-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.47
Rot. Bonds6

About N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 138036888) has the molecular formula C14H17F2N3O3S and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID138036888
Molecular FormulaC14H17F2N3O3S
Molecular Weight345.37 g/mol
Exact Mass345.10
IUPAC NameN-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)noc2C)sc1C(=O)NC(CO)CC(F)F
InChIInChI=1S/C14H17F2N3O3S/c1-6-11(8(3)22-19-6)14-17-7(2)12(23-14)13(21)18-9(5-20)4-10(15)16/h9-10,20H,4-5H2,1-3H3,(H,18,21)
InChIKeyDZZBSSBDHASZMT-UHFFFAOYSA-N
XLogP2.47
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-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 N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 138036888) is N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2c(C)noc2C)sc1C(=O)NC(CO)CC(F)F.
What is the InChIKey of N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DZZBSSBDHASZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3S/c1-6-11(8(3)22-19-6)14-17-7(2)12(23-14)13(21)18-9(5-20)4-10(15)16/h9-10,20H,4-5H2,1-3H3,(H,18,21).
What are the key properties of N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoro-1-hydroxybutan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138036888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).