[2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol

C10H15F2NOS — CID 170441912

IUPAC[2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol
SMILESCC(C)(C)c1nc(CO)c(C(C)(F)F)s1
InChIInChI=1S/C10H15F2NOS/c1-9(2,3)8-13-6(5-14)7(15-8)10(4,11)12/h14H,5H2,1-4H3
InChIKeyNFVJZQCECBQDTI-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.04
Rot. Bonds2

About [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol

[2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 170441912) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol
PubChem CID170441912
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name[2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol
SMILESCC(C)(C)c1nc(CO)c(C(C)(F)F)s1
InChIInChI=1S/C10H15F2NOS/c1-9(2,3)8-13-6(5-14)7(15-8)10(4,11)12/h14H,5H2,1-4H3
InChIKeyNFVJZQCECBQDTI-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 54594886
1-(2-(2-Methoxyethyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 61805818
1-[4-Methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethan-1-ol
CID 61806780
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
CID 15361440
1-(Dimethyl-1,3-thiazol-5-yl)ethan-1-ol
CID 45792553
1-(2,4-Dimethylthiazol-5-yl)-2,2,2-trifluoroethanol
CID 67401234
2-[2-Methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 118545266
2-[4-(Hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 129253745
(2-(Trifluoromethyl)-5-(2-((triisopropylsilyl)oxy)ethyl)thiazol-4-yl)methanol
CID 131745394
4-Methyl-2-(trifluoromethyl)-5-thiazoleethanol
CID 140120084
2-[2-Methyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 156271480
[5-(1,1-Difluoroethyl)-2-methyl-1,3-thiazol-4-yl]methanol
CID 156271616

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol (CID 170441912) is [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol is CC(C)(C)c1nc(CO)c(C(C)(F)F)s1.
What is the InChIKey of [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is NFVJZQCECBQDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-9(2,3)8-13-6(5-14)7(15-8)10(4,11)12/h14H,5H2,1-4H3.
What are the key properties of [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol?
[2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 235.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 170441912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).