2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine

C14H18N2S — CID 116887194

IUPAC2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCC(CN)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C14H18N2S/c1-3-11(9-15)13-10(2)16-14(17-13)12-7-5-4-6-8-12/h4-8,11H,3,9,15H2,1-2H3
InChIKeyDSBGKJOXPJIJRF-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine

2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 116887194) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID116887194
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCC(CN)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C14H18N2S/c1-3-11(9-15)13-10(2)16-14(17-13)12-7-5-4-6-8-12/h4-8,11H,3,9,15H2,1-2H3
InChIKeyDSBGKJOXPJIJRF-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
CID 116887215
2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887192
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887170
(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
CID 95624526
2-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylbutan-1-amine
CID 116887353
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884586
3-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butanenitrile
CID 116887330
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119893005
4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride
CID 120597190
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine (CID 116887194) is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine is CCC(CN)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is DSBGKJOXPJIJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-11(9-15)13-10(2)16-14(17-13)12-7-5-4-6-8-12/h4-8,11H,3,9,15H2,1-2H3.
What are the key properties of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine?
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 116887194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).