[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C15H20N2S — CID 81173380

IUPAC[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)CCc1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C15H20N2S/c1-11(2)8-9-14-17-15(13(10-16)18-14)12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3
InChIKeyQFNBSIIKGFPDMQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.86
Rot. Bonds5

About [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 81173380) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID81173380
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)CCc1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C15H20N2S/c1-11(2)8-9-14-17-15(13(10-16)18-14)12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3
InChIKeyQFNBSIIKGFPDMQ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 81173380) is [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is CC(C)CCc1nc(-c2ccccc2)c(CN)s1.
What is the InChIKey of [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is QFNBSIIKGFPDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)8-9-14-17-15(13(10-16)18-14)12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3.
What are the key properties of [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 81173380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).