[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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Related Compounds

[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177624
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
CID 62765496
5-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 62768298
[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81174268
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81174347
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81178307
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 62765688
N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 81178540

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).