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

C16H20N2S — CID 65431171

IUPACN-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
SMILESCc1ncc(CC(CNC2CC2)c2ccccc2)s1
InChIInChI=1S/C16H20N2S/c1-12-17-11-16(19-12)9-14(10-18-15-7-8-15)13-5-3-2-4-6-13/h2-6,11,14-15,18H,7-10H2,1H3
InChIKeyRFLTYVHJISFPSI-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.53
Rot. Bonds6

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

N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine (PubChem CID 65431171) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
PubChem CID65431171
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
SMILESCc1ncc(CC(CNC2CC2)c2ccccc2)s1
InChIInChI=1S/C16H20N2S/c1-12-17-11-16(19-12)9-14(10-18-15-7-8-15)13-5-3-2-4-6-13/h2-6,11,14-15,18H,7-10H2,1H3
InChIKeyRFLTYVHJISFPSI-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 63019452
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
CID 79437348
2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine
CID 79430702
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine
CID 65430604
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine (CID 65431171) is N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine is Cc1ncc(CC(CNC2CC2)c2ccccc2)s1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine?
The InChIKey is RFLTYVHJISFPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-17-11-16(19-12)9-14(10-18-15-7-8-15)13-5-3-2-4-6-13/h2-6,11,14-15,18H,7-10H2,1H3.
What are the key properties of N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine?
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine has a molecular weight of 272.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine is sourced from PubChem (CID 65431171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).