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

C13H14Cl2N2OS — CID 80693639

IUPAC[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C13H14Cl2N2OS/c1-8(9-3-5-10(14)6-4-9)17(2)13-16-12(15)11(7-18)19-13/h3-6,8,18H,7H2,1-2H3
InChIKeyLYEQCBRWZPDFSI-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.14
Rot. Bonds4

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

[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol (PubChem CID 80693639) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
PubChem CID80693639
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C13H14Cl2N2OS/c1-8(9-3-5-10(14)6-4-9)17(2)13-16-12(15)11(7-18)19-13/h3-6,8,18H,7H2,1-2H3
InChIKeyLYEQCBRWZPDFSI-UHFFFAOYSA-N
XLogP4.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396955
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112661812
4-chloro-5-(chloromethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 80688239
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83156958
2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62983529
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
2-[1-(4-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62985289
[2-[(4-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392577
methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574854
[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238589
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62985641
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62985300

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol (CID 80693639) is [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol is CC(c1ccc(Cl)cc1)N(C)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol?
The InChIKey is LYEQCBRWZPDFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-8(9-3-5-10(14)6-4-9)17(2)13-16-12(15)11(7-18)19-13/h3-6,8,18H,7H2,1-2H3.
What are the key properties of [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol has a molecular weight of 317.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).