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

C12H16N2OS — CID 2423956

IUPACN-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNC2=NCCS2)cc1
InChIInChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)6-7-13-12-14-8-9-16-12/h2-5H,6-9H2,1H3,(H,13,14)
InChIKeyWOBMKEGHBJRELE-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.93
Rot. Bonds4

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

N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2423956) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2423956
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CCNC2=NCCS2)cc1
InChIInChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)6-7-13-12-14-8-9-16-12/h2-5H,6-9H2,1H3,(H,13,14)
InChIKeyWOBMKEGHBJRELE-UHFFFAOYSA-N
XLogP1.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 2423956) is N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(CCNC2=NCCS2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WOBMKEGHBJRELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)6-7-13-12-14-8-9-16-12/h2-5H,6-9H2,1H3,(H,13,14).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2423956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).