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

C15H20N2S — CID 103624008

IUPAC3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCc1cscn1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-12(2)15(13-6-4-3-5-7-13)9-16-8-14-10-18-11-17-14/h3-7,10-12,15-16H,8-9H2,1-2H3
InChIKeyWBAZGCDMZFLEAX-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.67
Rot. Bonds6

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

3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 103624008) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID103624008
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCc1cscn1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-12(2)15(13-6-4-3-5-7-13)9-16-8-14-10-18-11-17-14/h3-7,10-12,15-16H,8-9H2,1-2H3
InChIKeyWBAZGCDMZFLEAX-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
CID 103617029
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
N-[(5-bromothiophen-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876038

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 103624008) is 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine is CC(C)C(CNCc1cscn1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is WBAZGCDMZFLEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(2)15(13-6-4-3-5-7-13)9-16-8-14-10-18-11-17-14/h3-7,10-12,15-16H,8-9H2,1-2H3.
What are the key properties of 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 103624008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).