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

C14H18N2S — CID 116965174

IUPAC3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)(CCN)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-14(2,8-9-15)13-16-12(10-17-13)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3
InChIKeyFMRSTZXIEAYWLL-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.44
Rot. Bonds4

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

3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 116965174) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID116965174
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)(CCN)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-14(2,8-9-15)13-16-12(10-17-13)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3
InChIKeyFMRSTZXIEAYWLL-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116965761
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
3-(1,3-benzothiazol-2-yl)-3-methylbutan-1-amine
CID 116999892
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61336472
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine
CID 103097106
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865446
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 141197141

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 116965174) is 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CC(C)(CCN)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is FMRSTZXIEAYWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-14(2,8-9-15)13-16-12(10-17-13)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 116965174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).