N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride

C7H11ClN2S — CID 156592108

IUPACN-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.c1ncc(CNC2CC2)s1
InChIInChI=1S/C7H10N2S.ClH/c1-2-6(1)9-4-7-3-8-5-10-7;/h3,5-6,9H,1-2,4H2;1H
InChIKeyHTCFZCKUEJUOMP-UHFFFAOYSA-N
MW190.70 g/mol
LogP1.82
Rot. Bonds3

About N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride

N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride (PubChem CID 156592108) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride
PubChem CID156592108
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC NameN-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.c1ncc(CNC2CC2)s1
InChIInChI=1S/C7H10N2S.ClH/c1-2-6(1)9-4-7-3-8-5-10-7;/h3,5-6,9H,1-2,4H2;1H
InChIKeyHTCFZCKUEJUOMP-UHFFFAOYSA-N
XLogP1.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 51.82
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-5-ylmethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride (CID 156592108) is N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride is Cl.c1ncc(CNC2CC2)s1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride?
The InChIKey is HTCFZCKUEJUOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.ClH/c1-2-6(1)9-4-7-3-8-5-10-7;/h3,5-6,9H,1-2,4H2;1H.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride?
N-(1,3-thiazol-5-ylmethyl)cyclopropanamine;hydrochloride has a molecular weight of 190.70 g/mol, XLogP of 1.82, 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-5-ylmethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 156592108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).