2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol

C16H23N3O2S — CID 111114822

IUPAC2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2sc(N(C)C)nc2C)c1
InChIInChI=1S/C16H23N3O2S/c1-11-15(22-16(18-11)19(2)3)10-17-9-14(20)12-6-5-7-13(8-12)21-4/h5-8,14,17,20H,9-10H2,1-4H3
InChIKeyJLQZNBXRXAJTLC-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.35
Rot. Bonds7

About 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol

2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111114822) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID111114822
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2sc(N(C)C)nc2C)c1
InChIInChI=1S/C16H23N3O2S/c1-11-15(22-16(18-11)19(2)3)10-17-9-14(20)12-6-5-7-13(8-12)21-4/h5-8,14,17,20H,9-10H2,1-4H3
InChIKeyJLQZNBXRXAJTLC-UHFFFAOYSA-N
XLogP2.35
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol
CID 111469610
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
CID 81135106
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol (CID 111114822) is 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNCc2sc(N(C)C)nc2C)c1.
What is the InChIKey of 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is JLQZNBXRXAJTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-15(22-16(18-11)19(2)3)10-17-9-14(20)12-6-5-7-13(8-12)21-4/h5-8,14,17,20H,9-10H2,1-4H3.
What are the key properties of 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol?
2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 321.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111114822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).