2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol

C17H14Cl2N2OS — CID 71814305

IUPAC2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C17H14Cl2N2OS/c18-14-6-3-12(9-15(14)19)16-10-23-17(21-16)20-13-4-1-11(2-5-13)7-8-22/h1-6,9-10,22H,7-8H2,(H,20,21)
InChIKeyBCDOVFWIVRJJHD-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.40
Rot. Bonds5

About 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol

2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol (PubChem CID 71814305) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol
PubChem CID71814305
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C17H14Cl2N2OS/c18-14-6-3-12(9-15(14)19)16-10-23-17(21-16)20-13-4-1-11(2-5-13)7-8-22/h1-6,9-10,22H,7-8H2,(H,20,21)
InChIKeyBCDOVFWIVRJJHD-UHFFFAOYSA-N
XLogP5.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
3-[4-[[4-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-ol
CID 66554895
(3S,5R)-1-[2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 71813976
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 58791991
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid
CID 155250270
4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791226
4-(3,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
CID 58791311

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol (CID 71814305) is 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol is OCCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1.
What is the InChIKey of 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol?
The InChIKey is BCDOVFWIVRJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c18-14-6-3-12(9-15(14)19)16-10-23-17(21-16)20-13-4-1-11(2-5-13)7-8-22/h1-6,9-10,22H,7-8H2,(H,20,21).
What are the key properties of 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol?
2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol has a molecular weight of 365.29 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 71814305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).