[2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol

C10H17NOS — CID 59238456

IUPAC[2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)CCc1ncc(CO)s1
InChIInChI=1S/C10H17NOS/c1-10(2,3)5-4-9-11-6-8(7-12)13-9/h6,12H,4-5,7H2,1-3H3
InChIKeySZMJDWSQIIXNIX-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.61
Rot. Bonds3

About [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol

[2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol (PubChem CID 59238456) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol
PubChem CID59238456
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name[2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)CCc1ncc(CO)s1
InChIInChI=1S/C10H17NOS/c1-10(2,3)5-4-9-11-6-8(7-12)13-9/h6,12H,4-5,7H2,1-3H3
InChIKeySZMJDWSQIIXNIX-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Isopropylthiazol-5-yl)methanol
CID 10820831
(2-Methyl-1,3-thiazol-5-yl)methanol
CID 12808792
(2-Ethyl-1,3-thiazol-5-yl)methanol
CID 21408258
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 137444302
[2-[[1-(3-Fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950808
[2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950909
[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950938
[2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950945
1-[2-(1-Hydroxy-2,2-dimethylpropyl)-3-oxido-1,3-thiazol-3-ium-5-yl]-2,2-dimethylpropan-1-ol
CID 15179920
2-(5-Methyl-2-thiazolyl)ethanol
CID 83390527
[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]methanol
CID 79964867
2,2-Dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782112

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol (CID 59238456) is [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol is CC(C)(C)CCc1ncc(CO)s1.
What is the InChIKey of [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is SZMJDWSQIIXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2,3)5-4-9-11-6-8(7-12)13-9/h6,12H,4-5,7H2,1-3H3.
What are the key properties of [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol?
[2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 199.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylbutyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 59238456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).