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

C14H17ClN2OS — CID 55117529

IUPAC[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)Cc2cccc(Cl)c2)sc1CO
InChIInChI=1S/C14H17ClN2OS/c1-3-12-13(9-18)19-14(16-12)17(2)8-10-5-4-6-11(15)7-10/h4-7,18H,3,8-9H2,1-2H3
InChIKeySWZXESFRBXZCOM-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.49
Rot. Bonds5

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

[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol (PubChem CID 55117529) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
PubChem CID55117529
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)Cc2cccc(Cl)c2)sc1CO
InChIInChI=1S/C14H17ClN2OS/c1-3-12-13(9-18)19-14(16-12)17(2)8-10-5-4-6-11(15)7-10/h4-7,18H,3,8-9H2,1-2H3
InChIKeySWZXESFRBXZCOM-UHFFFAOYSA-N
XLogP3.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392645
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780698
[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778647
[2-[(4-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392577
[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778344
[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088864
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
N-methyl-5-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62780134
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol (CID 55117529) is [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol is CCc1nc(N(C)Cc2cccc(Cl)c2)sc1CO.
What is the InChIKey of [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The InChIKey is SWZXESFRBXZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-3-12-13(9-18)19-14(16-12)17(2)8-10-5-4-6-11(15)7-10/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol?
[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol has a molecular weight of 296.82 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).