3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol

C14H26N2OS — CID 105080603

IUPAC3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1snnc1C(C)C
InChIInChI=1S/C14H26N2OS/c1-5-7-8-11(6-2)9-12(17)14-13(10(3)4)15-16-18-14/h10-12,17H,5-9H2,1-4H3
InChIKeyAWQFPLABMOXXPD-UHFFFAOYSA-N
MW270.44 g/mol
LogP4.30
Rot. Bonds8

About 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol

3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol (PubChem CID 105080603) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol
PubChem CID105080603
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1snnc1C(C)C
InChIInChI=1S/C14H26N2OS/c1-5-7-8-11(6-2)9-12(17)14-13(10(3)4)15-16-18-14/h10-12,17H,5-9H2,1-4H3
InChIKeyAWQFPLABMOXXPD-UHFFFAOYSA-N
XLogP4.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176818
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
5-ethylnonane-2,3-diol
CID 87935287
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
CID 104769579
5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
CID 140569222
2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105168462
3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol
CID 66164626
3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol
CID 82729718
6-ethyl-2,3-dimethyldecan-4-ol
CID 114981252

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol (CID 105080603) is 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol is CCCCC(CC)CC(O)c1snnc1C(C)C.
What is the InChIKey of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol?
The InChIKey is AWQFPLABMOXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-7-8-11(6-2)9-12(17)14-13(10(3)4)15-16-18-14/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol?
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol has a molecular weight of 270.44 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol is sourced from PubChem (CID 105080603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).