N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine

C14H18N2S — CID 61335195

IUPACN-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NC(Cc1ccccc1)c1nccs1
InChIInChI=1S/C14H18N2S/c1-11(2)16-13(14-15-8-9-17-14)10-12-6-4-3-5-7-12/h3-9,11,13,16H,10H2,1-2H3
InChIKeyWULAAGWBSBDCAC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.42
Rot. Bonds5

About N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine

N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 61335195) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID61335195
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NC(Cc1ccccc1)c1nccs1
InChIInChI=1S/C14H18N2S/c1-11(2)16-13(14-15-8-9-17-14)10-12-6-4-3-5-7-12/h3-9,11,13,16H,10H2,1-2H3
InChIKeyWULAAGWBSBDCAC-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide
CID 139254954
1-[[(1S)-2-(4-aminophenyl)-1-(1,3-thiazol-2-yl)ethyl]amino]ethanethiol
CID 155014307
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
3-methylsulfanyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 61334807
3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977590
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 92582018
(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 70041725
N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline
CID 90392146
4-[(2S)-2-(ethylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 155014309

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 61335195) is N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine is CC(C)NC(Cc1ccccc1)c1nccs1.
What is the InChIKey of N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is WULAAGWBSBDCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11(2)16-13(14-15-8-9-17-14)10-12-6-4-3-5-7-12/h3-9,11,13,16H,10H2,1-2H3.
What are the key properties of N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 61335195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).