N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine

C8H11ClN2S — CID 79765082

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1cnc(Cl)s1)C1CC1
InChIInChI=1S/C8H11ClN2S/c1-11(6-2-3-6)5-7-4-10-8(9)12-7/h4,6H,2-3,5H2,1H3
InChIKeyJUNOEARENVAIRC-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.39
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine (PubChem CID 79765082) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
PubChem CID79765082
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1cnc(Cl)s1)C1CC1
InChIInChI=1S/C8H11ClN2S/c1-11(6-2-3-6)5-7-4-10-8(9)12-7/h4,6H,2-3,5H2,1H3
InChIKeyJUNOEARENVAIRC-UHFFFAOYSA-N
XLogP2.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine (CID 79765082) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine is CN(Cc1cnc(Cl)s1)C1CC1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine?
The InChIKey is JUNOEARENVAIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-11(6-2-3-6)5-7-4-10-8(9)12-7/h4,6H,2-3,5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine has a molecular weight of 202.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 79765082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).