2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine

C15H20N2S — CID 93195048

IUPAC2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1ccc(Cc2cnc(CCN)s2)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)13-5-3-12(4-6-13)9-14-10-17-15(18-14)7-8-16/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyBBTSNUVYFQHHDS-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.36
Rot. Bonds5

About 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine

2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 93195048) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID93195048
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1ccc(Cc2cnc(CCN)s2)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)13-5-3-12(4-6-13)9-14-10-17-15(18-14)7-8-16/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyBBTSNUVYFQHHDS-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 93195048) is 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is CC(C)c1ccc(Cc2cnc(CCN)s2)cc1.
What is the InChIKey of 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is BBTSNUVYFQHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)13-5-3-12(4-6-13)9-14-10-17-15(18-14)7-8-16/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 93195048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).