1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine

C15H20N2S — CID 103786257

IUPAC1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ncc(C)s1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2S/c1-4-14(13-7-5-11(2)6-8-13)16-10-15-17-9-12(3)18-15/h5-9,14,16H,4,10H2,1-3H3
InChIKeyCPEJBEWNDOROGO-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.00
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine

1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 103786257) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID103786257
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ncc(C)s1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2S/c1-4-14(13-7-5-11(2)6-8-13)16-10-15-17-9-12(3)18-15/h5-9,14,16H,4,10H2,1-3H3
InChIKeyCPEJBEWNDOROGO-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
1-(4-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 106313187
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 62998625
1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62749243
1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111722471
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
5-[[1-(4-methylphenyl)propylamino]methyl]thiophene-2-carbonitrile
CID 115675381
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 103786257) is 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCC(NCc1ncc(C)s1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is CPEJBEWNDOROGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-14(13-7-5-11(2)6-8-13)16-10-15-17-9-12(3)18-15/h5-9,14,16H,4,10H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 103786257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).