1-(1,2-thiazol-4-yl)cyclopropan-1-amine

C6H8N2S — CID 96637200

IUPAC1-(1,2-thiazol-4-yl)cyclopropan-1-amine
SMILESNC1(c2cnsc2)CC1
InChIInChI=1S/C6H8N2S/c7-6(1-2-6)5-3-8-9-4-5/h3-4H,1-2,7H2
InChIKeyTWODHISBUCICNR-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.09
Rot. Bonds1

About 1-(1,2-thiazol-4-yl)cyclopropan-1-amine

1-(1,2-thiazol-4-yl)cyclopropan-1-amine (PubChem CID 96637200) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 1-(1,2-thiazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,2-thiazol-4-yl)cyclopropan-1-amine
PubChem CID96637200
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name1-(1,2-thiazol-4-yl)cyclopropan-1-amine
SMILESNC1(c2cnsc2)CC1
InChIInChI=1S/C6H8N2S/c7-6(1-2-6)5-3-8-9-4-5/h3-4H,1-2,7H2
InChIKeyTWODHISBUCICNR-UHFFFAOYSA-N
XLogP1.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1,2-thiazol-4-yl)cyclopropan-1-amine (CID 96637200) is 1-(1,2-thiazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1,2-thiazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1,2-thiazol-4-yl)cyclopropan-1-amine is NC1(c2cnsc2)CC1.
What is the InChIKey of 1-(1,2-thiazol-4-yl)cyclopropan-1-amine?
The InChIKey is TWODHISBUCICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c7-6(1-2-6)5-3-8-9-4-5/h3-4H,1-2,7H2.
What are the key properties of 1-(1,2-thiazol-4-yl)cyclopropan-1-amine?
1-(1,2-thiazol-4-yl)cyclopropan-1-amine has a molecular weight of 140.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 96637200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).