3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine

C14H18N2S — CID 115089230

IUPAC3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCc1cccc(Cc2nc(CCCN)cs2)c1
InChIInChI=1S/C14H18N2S/c1-11-4-2-5-12(8-11)9-14-16-13(10-17-14)6-3-7-15/h2,4-5,8,10H,3,6-7,9,15H2,1H3
InChIKeyXYCCBMRMESZOTC-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.93
Rot. Bonds5

About 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine

3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115089230) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115089230
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCc1cccc(Cc2nc(CCCN)cs2)c1
InChIInChI=1S/C14H18N2S/c1-11-4-2-5-12(8-11)9-14-16-13(10-17-14)6-3-7-15/h2,4-5,8,10H,3,6-7,9,15H2,1H3
InChIKeyXYCCBMRMESZOTC-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089233
N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089214
3-(3-methylphenyl)propan-1-amine
CID 12666388
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62596294
2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 71935057
2-benzyl-4-[[(R)-(3-methylphenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 95064196
[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62330445
2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 62929665
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
2-[2-[(4-methyl-3-nitrophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 83969660
N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]hexane-1,6-diamine
CID 66879392
2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 83969649

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine (CID 115089230) is 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine is Cc1cccc(Cc2nc(CCCN)cs2)c1.
What is the InChIKey of 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is XYCCBMRMESZOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-4-2-5-12(8-11)9-14-16-13(10-17-14)6-3-7-15/h2,4-5,8,10H,3,6-7,9,15H2,1H3.
What are the key properties of 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115089230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).