(2-hexyl-1,3-thiazol-5-yl)methanol

C10H17NOS — CID 21408259

IUPAC(2-hexyl-1,3-thiazol-5-yl)methanol
SMILESCCCCCCc1ncc(CO)s1
InChIInChI=1S/C10H17NOS/c1-2-3-4-5-6-10-11-7-9(8-12)13-10/h7,12H,2-6,8H2,1H3
InChIKeyUDWMYKPRXQWQQK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.76
Rot. Bonds6

About (2-hexyl-1,3-thiazol-5-yl)methanol

(2-hexyl-1,3-thiazol-5-yl)methanol (PubChem CID 21408259) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2-hexyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-hexyl-1,3-thiazol-5-yl)methanol
PubChem CID21408259
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2-hexyl-1,3-thiazol-5-yl)methanol
SMILESCCCCCCc1ncc(CO)s1
InChIInChI=1S/C10H17NOS/c1-2-3-4-5-6-10-11-7-9(8-12)13-10/h7,12H,2-6,8H2,1H3
InChIKeyUDWMYKPRXQWQQK-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Thiazolylmethanol
CID 2763216
(2-(Methoxymethyl)-1,3-thiazol-5-yl)methanol
CID 64980908
(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-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682
2,5-Thiazoledimethanol
CID 10130026
[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

Frequently Asked Questions

What is the IUPAC name of (2-hexyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-hexyl-1,3-thiazol-5-yl)methanol (CID 21408259) is (2-hexyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-hexyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-hexyl-1,3-thiazol-5-yl)methanol is CCCCCCc1ncc(CO)s1.
What is the InChIKey of (2-hexyl-1,3-thiazol-5-yl)methanol?
The InChIKey is UDWMYKPRXQWQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-3-4-5-6-10-11-7-9(8-12)13-10/h7,12H,2-6,8H2,1H3.
What are the key properties of (2-hexyl-1,3-thiazol-5-yl)methanol?
(2-hexyl-1,3-thiazol-5-yl)methanol has a molecular weight of 199.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 21408259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).