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

C6H7F2NOS — CID 126844205

IUPAC[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C(F)F)c(CO)s1
InChIInChI=1S/C6H7F2NOS/c1-3-9-5(6(7)8)4(2-10)11-3/h6,10H,2H2,1H3
InChIKeySFGIGMRGYONPID-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.88
Rot. Bonds2

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

[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 126844205) has the molecular formula C6H7F2NOS and a molecular weight of 179.19 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol
PubChem CID126844205
Molecular FormulaC6H7F2NOS
Molecular Weight179.19 g/mol
Exact Mass179.02
IUPAC Name[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C(F)F)c(CO)s1
InChIInChI=1S/C6H7F2NOS/c1-3-9-5(6(7)8)4(2-10)11-3/h6,10H,2H2,1H3
InChIKeySFGIGMRGYONPID-UHFFFAOYSA-N
XLogP1.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol (CID 126844205) is [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(C(F)F)c(CO)s1.
What is the InChIKey of [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is SFGIGMRGYONPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NOS/c1-3-9-5(6(7)8)4(2-10)11-3/h6,10H,2H2,1H3.
What are the key properties of [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol?
[4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 179.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 126844205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).