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

C12H16N2OS — CID 66242431

IUPACN-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(C(C)NC2=NCCS2)cc1
InChIInChI=1S/C12H16N2OS/c1-9(14-12-13-7-8-16-12)10-3-5-11(15-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyOBPOSYDXVIZNKB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.45
Rot. Bonds3

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

N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 66242431) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID66242431
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(C(C)NC2=NCCS2)cc1
InChIInChI=1S/C12H16N2OS/c1-9(14-12-13-7-8-16-12)10-3-5-11(15-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyOBPOSYDXVIZNKB-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide
CID 21179407
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81370327
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47265591
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 4251278
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 62050413
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 66242431) is N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(C(C)NC2=NCCS2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OBPOSYDXVIZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(14-12-13-7-8-16-12)10-3-5-11(15-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 66242431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).