2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine

C14H18N2S — CID 82054595

IUPAC2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine
SMILESCc1ccccc1Cc1cnc(C(C)CN)s1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-12(10)7-13-9-16-14(17-13)11(2)8-15/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyGAIKGXPRGLEBLD-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.10
Rot. Bonds4

About 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine

2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 82054595) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine
PubChem CID82054595
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine
SMILESCc1ccccc1Cc1cnc(C(C)CN)s1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-12(10)7-13-9-16-14(17-13)11(2)8-15/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyGAIKGXPRGLEBLD-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine (CID 82054595) is 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine is Cc1ccccc1Cc1cnc(C(C)CN)s1.
What is the InChIKey of 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is GAIKGXPRGLEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-5-3-4-6-12(10)7-13-9-16-14(17-13)11(2)8-15/h3-6,9,11H,7-8,15H2,1-2H3.
What are the key properties of 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine?
2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 82054595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).