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

C13H23NOS — CID 104769579

IUPAC3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1nc(C)cs1
InChIInChI=1S/C13H23NOS/c1-4-6-7-11(5-2)8-12(15)13-14-10(3)9-16-13/h9,11-12,15H,4-8H2,1-3H3
InChIKeyNXFHONKRTVIUPB-UHFFFAOYSA-N
MW241.40 g/mol
LogP4.09
Rot. Bonds7

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

3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol (PubChem CID 104769579) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
PubChem CID104769579
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1nc(C)cs1
InChIInChI=1S/C13H23NOS/c1-4-6-7-11(5-2)8-12(15)13-14-10(3)9-16-13/h9,11-12,15H,4-8H2,1-3H3
InChIKeyNXFHONKRTVIUPB-UHFFFAOYSA-N
XLogP4.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257
1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
CID 102829735
1-(4-bromo-3,5-dimethylphenyl)-3-ethylheptan-1-ol
CID 114329962
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
CID 165485806
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol (CID 104769579) is 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol is CCCCC(CC)CC(O)c1nc(C)cs1.
What is the InChIKey of 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol?
The InChIKey is NXFHONKRTVIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-6-7-11(5-2)8-12(15)13-14-10(3)9-16-13/h9,11-12,15H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol?
3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol is sourced from PubChem (CID 104769579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).