N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine

C16H20N2S — CID 55128930

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
SMILESCc1csc(C(CCc2ccccc2)NC2CC2)n1
InChIInChI=1S/C16H20N2S/c1-12-11-19-16(17-12)15(18-14-8-9-14)10-7-13-5-3-2-4-6-13/h2-6,11,14-15,18H,7-10H2,1H3
InChIKeyZFIBAYILLALUFI-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.88
Rot. Bonds6

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

N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine (PubChem CID 55128930) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
PubChem CID55128930
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
SMILESCc1csc(C(CCc2ccccc2)NC2CC2)n1
InChIInChI=1S/C16H20N2S/c1-12-11-19-16(17-12)15(18-14-8-9-14)10-7-13-5-3-2-4-6-13/h2-6,11,14-15,18H,7-10H2,1H3
InChIKeyZFIBAYILLALUFI-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 61330730
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
CID 61333875
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
CID 71221333
N-(1-phenylhexan-3-yl)cyclopropanamine
CID 115704621
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66116491

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine (CID 55128930) is N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine is Cc1csc(C(CCc2ccccc2)NC2CC2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine?
The InChIKey is ZFIBAYILLALUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-11-19-16(17-12)15(18-14-8-9-14)10-7-13-5-3-2-4-6-13/h2-6,11,14-15,18H,7-10H2,1H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine?
N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine has a molecular weight of 272.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine is sourced from PubChem (CID 55128930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).