1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol

C14H18N2OS — CID 62753842

IUPAC1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccccc2)sc1C(C)O
InChIInChI=1S/C14H18N2OS/c1-10-13(11(2)17)18-14(15-10)16(3)9-12-7-5-4-6-8-12/h4-8,11,17H,9H2,1-3H3
InChIKeyKHPHGQFRGONUJZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 62753842) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID62753842
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccccc2)sc1C(C)O
InChIInChI=1S/C14H18N2OS/c1-10-13(11(2)17)18-14(15-10)16(3)9-12-7-5-4-6-8-12/h4-8,11,17H,9H2,1-3H3
InChIKeyKHPHGQFRGONUJZ-UHFFFAOYSA-N
XLogP3.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
1-[4-methyl-2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753850
1-[4-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752452
1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754901
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
CID 13144636
5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62750191
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517
5-[1-(ethylamino)ethyl]-N,4-dimethyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62751781
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62749851
N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 58663770
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 112666406
1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63707531

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 62753842) is 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)Cc2ccccc2)sc1C(C)O.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is KHPHGQFRGONUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-13(11(2)17)18-14(15-10)16(3)9-12-7-5-4-6-8-12/h4-8,11,17H,9H2,1-3H3.
What are the key properties of 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 262.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62753842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).