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

C8H11F2NOS — CID 176718008

IUPAC[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol
SMILESCc1nc(CO)sc1CC(C)(F)F
InChIInChI=1S/C8H11F2NOS/c1-5-6(3-8(2,9)10)13-7(4-12)11-5/h12H,3-4H2,1-2H3
InChIKeyCKHFFSWRVLDCEV-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.14
Rot. Bonds3

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

[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol (PubChem CID 176718008) has the molecular formula C8H11F2NOS and a molecular weight of 207.24 g/mol. Its IUPAC name is [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol
PubChem CID176718008
Molecular FormulaC8H11F2NOS
Molecular Weight207.24 g/mol
Exact Mass207.05
IUPAC Name[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol
SMILESCc1nc(CO)sc1CC(C)(F)F
InChIInChI=1S/C8H11F2NOS/c1-5-6(3-8(2,9)10)13-7(4-12)11-5/h12H,3-4H2,1-2H3
InChIKeyCKHFFSWRVLDCEV-UHFFFAOYSA-N
XLogP2.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol (CID 176718008) is [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol is Cc1nc(CO)sc1CC(C)(F)F.
What is the InChIKey of [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol?
The InChIKey is CKHFFSWRVLDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c1-5-6(3-8(2,9)10)13-7(4-12)11-5/h12H,3-4H2,1-2H3.
What are the key properties of [5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol?
[5-(2,2-difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol has a molecular weight of 207.24 g/mol, XLogP of 2.14, 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 is sourced from PubChem (CID 176718008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).