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

C14H18N2S — CID 113237093

IUPACN-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCc1ccccc1CNC(C)(C)c1nccs1
InChIInChI=1S/C14H18N2S/c1-11-6-4-5-7-12(11)10-16-14(2,3)13-15-8-9-17-13/h4-9,16H,10H2,1-3H3
InChIKeyWNXKHJBMUWAPRE-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.48
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 113237093) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID113237093
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCc1ccccc1CNC(C)(C)c1nccs1
InChIInChI=1S/C14H18N2S/c1-11-6-4-5-7-12(11)10-16-14(2,3)13-15-8-9-17-13/h4-9,16H,10H2,1-3H3
InChIKeyWNXKHJBMUWAPRE-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103828799
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]benzene-1,2,3-triol
CID 103953465
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113258267
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]aniline
CID 114132033
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714669
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714694
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115630853
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845069

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (CID 113237093) is N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is Cc1ccccc1CNC(C)(C)c1nccs1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is WNXKHJBMUWAPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-6-4-5-7-12(11)10-16-14(2,3)13-15-8-9-17-13/h4-9,16H,10H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 113237093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).