1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile

C7H6N2S — CID 82184336

IUPAC1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nccs2)CC1
InChIInChI=1S/C7H6N2S/c8-5-7(1-2-7)6-9-3-4-10-6/h3-4H,1-2H2
InChIKeyMUENOJDTVSGNNF-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.70
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile

1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile (PubChem CID 82184336) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
PubChem CID82184336
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nccs2)CC1
InChIInChI=1S/C7H6N2S/c8-5-7(1-2-7)6-9-3-4-10-6/h3-4H,1-2H2
InChIKeyMUENOJDTVSGNNF-UHFFFAOYSA-N
XLogP1.70
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile (CID 82184336) is 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile is N#CC1(c2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is MUENOJDTVSGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c8-5-7(1-2-7)6-9-3-4-10-6/h3-4H,1-2H2.
What are the key properties of 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 82184336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).