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

C16H20N2S — CID 55096147

IUPACN-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(Cc2nc(CNC3CC3)cs2)c1
InChIInChI=1S/C16H20N2S/c1-11-5-12(2)7-13(6-11)8-16-18-15(10-19-16)9-17-14-3-4-14/h5-7,10,14,17H,3-4,8-9H2,1-2H3
InChIKeyWGAXLXGVGIKGLZ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.60
Rot. Bonds5

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

N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 55096147) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID55096147
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(Cc2nc(CNC3CC3)cs2)c1
InChIInChI=1S/C16H20N2S/c1-11-5-12(2)7-13(6-11)8-16-18-15(10-19-16)9-17-14-3-4-14/h5-7,10,14,17H,3-4,8-9H2,1-2H3
InChIKeyWGAXLXGVGIKGLZ-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1-Benzyl-piperidin-4-yl)-(2-phenyl-thiazol-4-ylmethyl)-amine
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4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
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N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
CID 600157
N-[phenyl-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
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CID 127046714
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CID 7060568

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 55096147) is N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is Cc1cc(C)cc(Cc2nc(CNC3CC3)cs2)c1.
What is the InChIKey of N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WGAXLXGVGIKGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-5-12(2)7-13(6-11)8-16-18-15(10-19-16)9-17-14-3-4-14/h5-7,10,14,17H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 272.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55096147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).