3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol

C7H12N2OS — CID 54362343

IUPAC3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCCc1nnc(CCCO)s1
InChIInChI=1S/C7H12N2OS/c1-2-6-8-9-7(11-6)4-3-5-10/h10H,2-5H2,1H3
InChIKeyUNJMIAFTZXHGDL-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.03
Rot. Bonds4

About 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol

3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol (PubChem CID 54362343) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol
PubChem CID54362343
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCCc1nnc(CCCO)s1
InChIInChI=1S/C7H12N2OS/c1-2-6-8-9-7(11-6)4-3-5-10/h10H,2-5H2,1H3
InChIKeyUNJMIAFTZXHGDL-UHFFFAOYSA-N
XLogP1.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Thiadiazole-2-methanol, 5-ethyl-
CID 102537415
1-(5-Methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol
CID 10726220
(5-Tert-butyl-1,3,4-thiadiazol-2-yl)methanol
CID 57686861
3-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
CID 59207393
3-(1,3,4-Thiadiazol-2-yl)propan-1-ol
CID 67246374
[5-(Propan-2-yl)-1,3,4-thiadiazol-2-yl]methanol
CID 102537412
(1R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol
CID 126541258
1-(5-Methyl-1,3,4-thiadiazol-2-yl)ethan-1-ol
CID 131543122
2-Methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
CID 134201360
2-Iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
CID 134201403
(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol
CID 134555967
(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol
CID 139568646

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol (CID 54362343) is 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol is CCc1nnc(CCCO)s1.
What is the InChIKey of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The InChIKey is UNJMIAFTZXHGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-6-8-9-7(11-6)4-3-5-10/h10H,2-5H2,1H3.
What are the key properties of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)propan-1-ol is sourced from PubChem (CID 54362343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).