[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane

C9H15F2NOS — CID 176718007

IUPAC[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane
SMILESC.Cc1nc(CO)sc1CC(C)(F)F
InChIInChI=1S/C8H11F2NOS.CH4/c1-5-6(3-8(2,9)10)13-7(4-12)11-5;/h12H,3-4H2,1-2H3;1H4
InChIKeyXILCOTNTBUBVBI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.78
Rot. Bonds3

About [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane

[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane (PubChem CID 176718007) has the molecular formula C9H15F2NOS and a molecular weight of 223.29 g/mol. Its IUPAC name is [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane.

Molecular Properties

Compound Name[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane
PubChem CID176718007
Molecular FormulaC9H15F2NOS
Molecular Weight223.29 g/mol
Exact Mass223.08
IUPAC Name[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane
SMILESC.Cc1nc(CO)sc1CC(C)(F)F
InChIInChI=1S/C8H11F2NOS.CH4/c1-5-6(3-8(2,9)10)13-7(4-12)11-5;/h12H,3-4H2,1-2H3;1H4
InChIKeyXILCOTNTBUBVBI-UHFFFAOYSA-N
XLogP2.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane with MolForge

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

Launch Full Analysis

Related Compounds

(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)methanol
CID 46784931
{4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-yl}methanol
CID 46784948
2-Methyl-5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole
CID 57989540
4,5-Dipentyl-2-(trifluoromethyl)-1,3-thiazole
CID 70521357
4-Methyl-2-(trifluoromethyl)-5-thiazoleethanol
CID 140120084
[5-(4-Fluorocyclohexyl)-4-methyl-1,3-thiazol-2-yl]methanol
CID 142184090
[5-(1,1-Difluoroethyl)-2-methyl-1,3-thiazol-4-yl]methanol
CID 156271616
2-[4-(Difluoromethyl)-5-propan-2-yl-1,3-thiazol-2-yl]propan-2-ol
CID 169162896
[2-Tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol
CID 170441912
(6,6-difluoro-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methanol
CID 176218082
[7-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methanol
CID 176218397
Ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate
CID 176717793

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane?
The IUPAC name of [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane (CID 176718007) is [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane.
What is the SMILES notation for [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane?
The canonical SMILES for [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane is C.Cc1nc(CO)sc1CC(C)(F)F.
What is the InChIKey of [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane?
The InChIKey is XILCOTNTBUBVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS.CH4/c1-5-6(3-8(2,9)10)13-7(4-12)11-5;/h12H,3-4H2,1-2H3;1H4.
What are the key properties of [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane?
[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane has a molecular weight of 223.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane is sourced from PubChem (CID 176718007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).