2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol

C17H16Cl2N2OS — CID 14700370

IUPAC2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol
SMILESCc1c(O)c(C)c2sc(NCc3ccc(Cl)cc3Cl)nc2c1C
InChIInChI=1S/C17H16Cl2N2OS/c1-8-9(2)15(22)10(3)16-14(8)21-17(23-16)20-7-11-4-5-12(18)6-13(11)19/h4-6,22H,7H2,1-3H3,(H,20,21)
InChIKeyHBAVQNBMNYSJBX-UHFFFAOYSA-N
MW367.30 g/mol
LogP5.85
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol

2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol (PubChem CID 14700370) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol
PubChem CID14700370
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol
SMILESCc1c(O)c(C)c2sc(NCc3ccc(Cl)cc3Cl)nc2c1C
InChIInChI=1S/C17H16Cl2N2OS/c1-8-9(2)15(22)10(3)16-14(8)21-17(23-16)20-7-11-4-5-12(18)6-13(11)19/h4-6,22H,7H2,1-3H3,(H,20,21)
InChIKeyHBAVQNBMNYSJBX-UHFFFAOYSA-N
XLogP5.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.30
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
CID 110826684
N-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
CID 18778242
N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133352147
N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965637
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 43213712
2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539502
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol (CID 14700370) is 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol is Cc1c(O)c(C)c2sc(NCc3ccc(Cl)cc3Cl)nc2c1C.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
The InChIKey is HBAVQNBMNYSJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c1-8-9(2)15(22)10(3)16-14(8)21-17(23-16)20-7-11-4-5-12(18)6-13(11)19/h4-6,22H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol?
2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol has a molecular weight of 367.30 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol is sourced from PubChem (CID 14700370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).