4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H16N2OS — CID 2725186

IUPAC4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(OC)cc2)=N1
InChIInChI=1S/C12H16N2OS/c1-3-9-8-16-12(13-9)14-10-4-6-11(15-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyUVFSATDTIMWDEQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.99
Rot. Bonds3

About 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2725186) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2725186
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(OC)cc2)=N1
InChIInChI=1S/C12H16N2OS/c1-3-9-8-16-12(13-9)14-10-4-6-11(15-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyUVFSATDTIMWDEQ-UHFFFAOYSA-N
XLogP2.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide hydrochloride
CID 16194805
(2Z)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135429736
4,5-Dihydro-N-(4-methoxyphenyl)-5-methyl-2-thiazolamine
CID 613778
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
2-(P-Anisidino)-2-thiazoline
CID 291787
[4-(Hydroxymethyl)-2-(2-methoxyanilino)-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 2732783
N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2732853
N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3228495
N-(4-methoxyphenyl)imidazolidin-2-imine
CID 411679
2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodide
CID 8775930
1-[4-(Trifluoromethoxy)phenyl]-2-ethylisothiourea
CID 10825489
[2-[(4-Methoxyphenyl)imino]-4-methyl-1,3-thiazolan-4-yl]methanol
CID 330535

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2725186) is 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccc(OC)cc2)=N1.
What is the InChIKey of 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UVFSATDTIMWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-9-8-16-12(13-9)14-10-4-6-11(15-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2725186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).