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

C14H18N2OS — CID 62780142

IUPAC[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)Cc2ccccc2)sc1CO
InChIInChI=1S/C14H18N2OS/c1-3-12-13(10-17)18-14(15-12)16(2)9-11-7-5-4-6-8-11/h4-8,17H,3,9-10H2,1-2H3
InChIKeyJTRDTYNLVBHMED-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.83
Rot. Bonds5

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

[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780142) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
PubChem CID62780142
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)Cc2ccccc2)sc1CO
InChIInChI=1S/C14H18N2OS/c1-3-12-13(10-17)18-14(15-12)16(2)9-11-7-5-4-6-8-11/h4-8,17H,3,9-10H2,1-2H3
InChIKeyJTRDTYNLVBHMED-UHFFFAOYSA-N
XLogP2.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 55117529
[4-ethyl-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780324
[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779815
[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511017
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778647
[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778344
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 65486953
N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62779800
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62764849
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780698
[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780335

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol (CID 62780142) is [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol is CCc1nc(N(C)Cc2ccccc2)sc1CO.
What is the InChIKey of [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The InChIKey is JTRDTYNLVBHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-12-13(10-17)18-14(15-12)16(2)9-11-7-5-4-6-8-11/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol?
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).