4-(cyclopropylmethyl)thiadiazole

C6H8N2S — CID 69450311

IUPAC4-(cyclopropylmethyl)thiadiazole
SMILESc1snnc1CC1CC1
InChIInChI=1S/C6H8N2S/c1-2-5(1)3-6-4-9-8-7-6/h4-5H,1-3H2
InChIKeyLPQGSTTWWXNYOY-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.49
Rot. Bonds2

About 4-(cyclopropylmethyl)thiadiazole

4-(cyclopropylmethyl)thiadiazole (PubChem CID 69450311) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)thiadiazole.

Molecular Properties

Compound Name4-(cyclopropylmethyl)thiadiazole
PubChem CID69450311
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name4-(cyclopropylmethyl)thiadiazole
SMILESc1snnc1CC1CC1
InChIInChI=1S/C6H8N2S/c1-2-5(1)3-6-4-9-8-7-6/h4-5H,1-3H2
InChIKeyLPQGSTTWWXNYOY-UHFFFAOYSA-N
XLogP1.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57002534
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CID 57108156
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CID 118148363
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CID 19903308
CID 19903308
CID 146168283
CID 146168283
CID 146168347
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CID 130589388
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CID 13427197
CID 13427197
CID 18979673
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CID 53984366
CID 53984366
CID 54540167
CID 54540167

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)thiadiazole?
The IUPAC name of 4-(cyclopropylmethyl)thiadiazole (CID 69450311) is 4-(cyclopropylmethyl)thiadiazole.
What is the SMILES notation for 4-(cyclopropylmethyl)thiadiazole?
The canonical SMILES for 4-(cyclopropylmethyl)thiadiazole is c1snnc1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)thiadiazole?
The InChIKey is LPQGSTTWWXNYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-5(1)3-6-4-9-8-7-6/h4-5H,1-3H2.
What are the key properties of 4-(cyclopropylmethyl)thiadiazole?
4-(cyclopropylmethyl)thiadiazole has a molecular weight of 140.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)thiadiazole is sourced from PubChem (CID 69450311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).