2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole

C11H18N2S — CID 139525367

IUPAC2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole
SMILESCCCC(CC)C1(c2nncs2)CC1
InChIInChI=1S/C11H18N2S/c1-3-5-9(4-2)11(6-7-11)10-13-12-8-14-10/h8-9H,3-7H2,1-2H3
InChIKeyKNNUFTJEDWBEEA-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.40
Rot. Bonds5

About 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole

2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole (PubChem CID 139525367) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole
PubChem CID139525367
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole
SMILESCCCC(CC)C1(c2nncs2)CC1
InChIInChI=1S/C11H18N2S/c1-3-5-9(4-2)11(6-7-11)10-13-12-8-14-10/h8-9H,3-7H2,1-2H3
InChIKeyKNNUFTJEDWBEEA-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluoro-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525069
2-(1-Butan-2-yl-3,3-difluorocyclobutyl)-1,3,4-thiadiazole
CID 156373627
2-(2-Ethylhexyl)-1,3,4-thiadiazole
CID 20427074
2-(2-Propan-2-yloctyl)-1,3,4-thiadiazole
CID 20429659
2-(4,4-Dimethylpentyl)-1,3,4-thiadiazole
CID 59842134
2-(1-Ethylcyclopropyl)-1,3,4-thiadiazole
CID 90687772
2-(2-Methylhexan-2-yl)-1,3,4-thiadiazole
CID 91496089
2-(2-Methyloctan-2-yl)-1,3,4-thiadiazole
CID 117830761
2-Heptan-4-yl-1,3,4-thiadiazole
CID 123906730
2-Tridecan-7-yl-1,3,4-thiadiazole
CID 126513101
2-(7-Methyltridecan-7-yl)-1,3,4-thiadiazole
CID 129095793
2-Hexan-3-yl-1,3,4-thiadiazole
CID 129260173

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole (CID 139525367) is 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole is CCCC(CC)C1(c2nncs2)CC1.
What is the InChIKey of 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole?
The InChIKey is KNNUFTJEDWBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-5-9(4-2)11(6-7-11)10-13-12-8-14-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole?
2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole has a molecular weight of 210.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexan-3-ylcyclopropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139525367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).