N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine

C17H22N2S — CID 82103043

IUPACN-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
SMILESCc1ccc(-c2nc(CCNC3CC3)sc2C)cc1C
InChIInChI=1S/C17H22N2S/c1-11-4-5-14(10-12(11)2)17-13(3)20-16(19-17)8-9-18-15-6-7-15/h4-5,10,15,18H,6-9H2,1-3H3
InChIKeySVIUCSIJUUHOJF-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.03
Rot. Bonds5

About N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine

N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 82103043) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
PubChem CID82103043
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
SMILESCc1ccc(-c2nc(CCNC3CC3)sc2C)cc1C
InChIInChI=1S/C17H22N2S/c1-11-4-5-14(10-12(11)2)17-13(3)20-16(19-17)8-9-18-15-6-7-15/h4-5,10,15,18H,6-9H2,1-3H3
InChIKeySVIUCSIJUUHOJF-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine (CID 82103043) is N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine is Cc1ccc(-c2nc(CCNC3CC3)sc2C)cc1C.
What is the InChIKey of N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is SVIUCSIJUUHOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-11-4-5-14(10-12(11)2)17-13(3)20-16(19-17)8-9-18-15-6-7-15/h4-5,10,15,18H,6-9H2,1-3H3.
What are the key properties of N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 286.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 82103043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).