3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol

C10H17NOS — CID 104769377

IUPAC3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1nc(C)cs1
InChIInChI=1S/C10H17NOS/c1-4-7(2)5-9(12)10-11-8(3)6-13-10/h6-7,9,12H,4-5H2,1-3H3
InChIKeyWBVNJRYZNFJZIQ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.92
Rot. Bonds4

About 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol

3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 104769377) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
PubChem CID104769377
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1nc(C)cs1
InChIInChI=1S/C10H17NOS/c1-4-7(2)5-9(12)10-11-8(3)6-13-10/h6-7,9,12H,4-5H2,1-3H3
InChIKeyWBVNJRYZNFJZIQ-UHFFFAOYSA-N
XLogP2.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
CID 104769579
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
CID 115887446
1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113451251
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
2-(1-ethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769635
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol (CID 104769377) is 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol is CCC(C)CC(O)c1nc(C)cs1.
What is the InChIKey of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is WBVNJRYZNFJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-4-7(2)5-9(12)10-11-8(3)6-13-10/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol?
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 104769377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).