2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol

C13H16N2OS — CID 133370528

IUPAC2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
SMILESCCN(CCO)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-2-15(8-9-16)13-14-12(10-17-13)11-6-4-3-5-7-11/h3-7,10,16H,2,8-9H2,1H3
InChIKeyXQQFYOJLVKRMNS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.63
Rot. Bonds5

About 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol

2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol (PubChem CID 133370528) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
PubChem CID133370528
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
SMILESCCN(CCO)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-2-15(8-9-16)13-14-12(10-17-13)11-6-4-3-5-7-11/h3-7,10,16H,2,8-9H2,1H3
InChIKeyXQQFYOJLVKRMNS-UHFFFAOYSA-N
XLogP2.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
CID 62960831
2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol
CID 125472013
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
N-(3-iodoprop-2-ynyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 13344830
2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)-propan-2-ylamino]propanoic acid
CID 82310044
2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoyl]amino]acetic acid
CID 58675101
N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 810454
diethyl-[3-[(2-methylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl]azanium
CID 7124820
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol (CID 133370528) is 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol is CCN(CCO)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The InChIKey is XQQFYOJLVKRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-15(8-9-16)13-14-12(10-17-13)11-6-4-3-5-7-11/h3-7,10,16H,2,8-9H2,1H3.
What are the key properties of 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol has a molecular weight of 248.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol is sourced from PubChem (CID 133370528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).