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

C14H18N2S — CID 116888515

IUPAC2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC(C)(N)CCc1csc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2S/c1-14(2,15)9-8-12-10-17-13(16-12)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3
InChIKeyAVBMFFNCXFAEBC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.48
Rot. Bonds4

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

2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine (PubChem CID 116888515) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
PubChem CID116888515
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC(C)(N)CCc1csc(-c2ccccc2)n1
InChIInChI=1S/C14H18N2S/c1-14(2,15)9-8-12-10-17-13(16-12)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3
InChIKeyAVBMFFNCXFAEBC-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
CID 116888514
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975161
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
1-tert-butyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038265
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
3-methyl-1-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butane-1,2-diamine
CID 83961285
1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine (CID 116888515) is 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine is CC(C)(N)CCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is AVBMFFNCXFAEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-14(2,15)9-8-12-10-17-13(16-12)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine?
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine is sourced from PubChem (CID 116888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).