N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

C7H10N2S — CID 26722593

IUPACN-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESc1csc(CNC2CC2)n1
InChIInChI=1S/C7H10N2S/c1-2-6(1)9-5-7-8-3-4-10-7/h3-4,6,9H,1-2,5H2
InChIKeyACDDRSZQTWAHFC-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.40
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (PubChem CID 26722593) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)cyclopropanamine
PubChem CID26722593
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC NameN-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESc1csc(CNC2CC2)n1
InChIInChI=1S/C7H10N2S/c1-2-6(1)9-5-7-8-3-4-10-7/h3-4,6,9H,1-2,5H2
InChIKeyACDDRSZQTWAHFC-UHFFFAOYSA-N
XLogP1.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (CID 26722593) is N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is c1csc(CNC2CC2)n1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The InChIKey is ACDDRSZQTWAHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-6(1)9-5-7-8-3-4-10-7/h3-4,6,9H,1-2,5H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
N-(1,3-thiazol-2-ylmethyl)cyclopropanamine has a molecular weight of 154.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 26722593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).