N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine

C18H18N2S — CID 115878793

IUPACN-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NC(c1ccccc1)c1ccccc1)c1cscn1
InChIInChI=1S/C18H18N2S/c1-14(17-12-21-13-19-17)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,18,20H,1H3
InChIKeyKVJQBZOIOLOSHN-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.58
Rot. Bonds5

About N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine

N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115878793) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115878793
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NC(c1ccccc1)c1ccccc1)c1cscn1
InChIInChI=1S/C18H18N2S/c1-14(17-12-21-13-19-17)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,18,20H,1H3
InChIKeyKVJQBZOIOLOSHN-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
N-(1-phenylethyl)-1,3-thiazol-4-amine
CID 57022691
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843
N-[(4-phenylphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923890
1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 115878972
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
3-[1-(1,3-thiazol-4-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 113486874
3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115879478
4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine (CID 115878793) is N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine is CC(NC(c1ccccc1)c1ccccc1)c1cscn1.
What is the InChIKey of N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is KVJQBZOIOLOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14(17-12-21-13-19-17)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,18,20H,1H3.
What are the key properties of N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine?
N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115878793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).