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

C8H12N2S — CID 134598953

IUPAC2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole
SMILESCC(C)C1(c2nncs2)CC1
InChIInChI=1S/C8H12N2S/c1-6(2)8(3-4-8)7-10-9-5-11-7/h5-6H,3-4H2,1-2H3
InChIKeyBMKAXTJBMWOVJL-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.23
Rot. Bonds2

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

2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole (PubChem CID 134598953) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole
PubChem CID134598953
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole
SMILESCC(C)C1(c2nncs2)CC1
InChIInChI=1S/C8H12N2S/c1-6(2)8(3-4-8)7-10-9-5-11-7/h5-6H,3-4H2,1-2H3
InChIKeyBMKAXTJBMWOVJL-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.23
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-Methylcyclopropyl)-1,3,4-thiadiazole
CID 69090564
2-(1-Ethylcyclopropyl)-1,3,4-thiadiazole
CID 90687772
2-Pentan-3-yl-1,3,4-thiadiazole
CID 90705926
2-(2-Methylbutan-2-yl)-1,3,4-thiadiazole
CID 90878730
2-(2-Methylhexan-2-yl)-1,3,4-thiadiazole
CID 91496089
2-Hexan-3-yl-1,3,4-thiadiazole
CID 129260173
2-(3-Methylhexan-3-yl)-1,3,4-thiadiazole
CID 131999159
2-(1-Propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525082
2-(1-Hexan-3-ylcyclopropyl)-1,3,4-thiadiazole
CID 139525367
2-(3,3-Dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525452
2-[1-[1-(Disulfanyl)ethyl]cyclopropyl]-1,3,4-thiadiazole
CID 139525453

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole (CID 134598953) is 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole is CC(C)C1(c2nncs2)CC1.
What is the InChIKey of 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole?
The InChIKey is BMKAXTJBMWOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(2)8(3-4-8)7-10-9-5-11-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole?
2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylcyclopropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 134598953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).