N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

C16H20N2S — CID 79888731

IUPACN-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccccc1C1CC1)c1nccs1
InChIInChI=1S/C16H20N2S/c1-2-15(16-17-9-10-19-16)18-11-13-5-3-4-6-14(13)12-7-8-12/h3-6,9-10,12,15,18H,2,7-8,11H2,1H3
InChIKeyVJAKXTOIFNOYBF-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.26
Rot. Bonds6

About N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 79888731) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID79888731
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccccc1C1CC1)c1nccs1
InChIInChI=1S/C16H20N2S/c1-2-15(16-17-9-10-19-16)18-11-13-5-3-4-6-14(13)12-7-8-12/h3-6,9-10,12,15,18H,2,7-8,11H2,1H3
InChIKeyVJAKXTOIFNOYBF-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 77045231
4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953541
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64509268
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 82705807
(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 103998333
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64799570
2,6-dichloro-4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]aniline
CID 82841050
2-[5-[[1-(1,3-thiazol-2-yl)propylamino]methyl]thiophen-2-yl]acetic acid
CID 82894965
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 81144527

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (CID 79888731) is N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1ccccc1C1CC1)c1nccs1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is VJAKXTOIFNOYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-15(16-17-9-10-19-16)18-11-13-5-3-4-6-14(13)12-7-8-12/h3-6,9-10,12,15,18H,2,7-8,11H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 79888731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).