N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine

C17H22N2S — CID 115979389

IUPACN-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESCc1ccccc1CC(CNC1CC1)Cc1cncs1
InChIInChI=1S/C17H22N2S/c1-13-4-2-3-5-15(13)8-14(10-19-16-6-7-16)9-17-11-18-12-20-17/h2-5,11-12,14,16,19H,6-10H2,1H3
InChIKeyPUHZSFYJMIPKTE-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.60
Rot. Bonds7

About N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine

N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine (PubChem CID 115979389) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
PubChem CID115979389
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESCc1ccccc1CC(CNC1CC1)Cc1cncs1
InChIInChI=1S/C17H22N2S/c1-13-4-2-3-5-15(13)8-14(10-19-16-6-7-16)9-17-11-18-12-20-17/h2-5,11-12,14,16,19H,6-10H2,1H3
InChIKeyPUHZSFYJMIPKTE-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019
N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 62514412
2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 62461524
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116555141
2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979345

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine (CID 115979389) is N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine is Cc1ccccc1CC(CNC1CC1)Cc1cncs1.
What is the InChIKey of N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
The InChIKey is PUHZSFYJMIPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-4-2-3-5-15(13)8-14(10-19-16-6-7-16)9-17-11-18-12-20-17/h2-5,11-12,14,16,19H,6-10H2,1H3.
What are the key properties of N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine has a molecular weight of 286.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 115979389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).