N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine

C15H18N2S — CID 64540999

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1nc(C)c(CNC2CC2c2ccccc2)s1
InChIInChI=1S/C15H18N2S/c1-10-15(18-11(2)17-10)9-16-14-8-13(14)12-6-4-3-5-7-12/h3-7,13-14,16H,8-9H2,1-2H3
InChIKeyQLCYPGPAAUFGRH-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.41
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 64540999) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID64540999
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1nc(C)c(CNC2CC2c2ccccc2)s1
InChIInChI=1S/C15H18N2S/c1-10-15(18-11(2)17-10)9-16-14-8-13(14)12-6-4-3-5-7-12/h3-7,13-14,16H,8-9H2,1-2H3
InChIKeyQLCYPGPAAUFGRH-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine (CID 64540999) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine is Cc1nc(C)c(CNC2CC2c2ccccc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is QLCYPGPAAUFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-15(18-11(2)17-10)9-16-14-8-13(14)12-6-4-3-5-7-12/h3-7,13-14,16H,8-9H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 64540999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).