5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine

C14H9Cl3N2S — CID 43674721

IUPAC5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
SMILESClc1cccc(CNc2c(Cl)ccc3scnc23)c1Cl
InChIInChI=1S/C14H9Cl3N2S/c15-9-3-1-2-8(12(9)17)6-18-13-10(16)4-5-11-14(13)19-7-20-11/h1-5,7,18H,6H2
InChIKeyFDCYAAOKOFHNPQ-UHFFFAOYSA-N
MW343.67 g/mol
LogP5.87
Rot. Bonds3

About 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine

5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine (PubChem CID 43674721) has the molecular formula C14H9Cl3N2S and a molecular weight of 343.67 g/mol. Its IUPAC name is 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
PubChem CID43674721
Molecular FormulaC14H9Cl3N2S
Molecular Weight343.67 g/mol
Exact Mass341.96
IUPAC Name5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
SMILESClc1cccc(CNc2c(Cl)ccc3scnc23)c1Cl
InChIInChI=1S/C14H9Cl3N2S/c15-9-3-1-2-8(12(9)17)6-18-13-10(16)4-5-11-14(13)19-7-20-11/h1-5,7,18H,6H2
InChIKeyFDCYAAOKOFHNPQ-UHFFFAOYSA-N
XLogP5.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43674813
2-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-6-methylphenol
CID 115951090
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
5-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-1,3-benzothiazol-4-amine
CID 63428032
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
CID 61171394
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985
5-chloro-N-[(2,4,6-trimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674748
N-[(3-aminothiophen-2-yl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 66385331
5-chloro-N-[(3,4,5-trifluorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 63051536
N-[(3-bromofuran-2-yl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 106885126
5-chloro-N-[(3-nitrophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674697
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 106816279

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine (CID 43674721) is 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine is Clc1cccc(CNc2c(Cl)ccc3scnc23)c1Cl.
What is the InChIKey of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine?
The InChIKey is FDCYAAOKOFHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2S/c15-9-3-1-2-8(12(9)17)6-18-13-10(16)4-5-11-14(13)19-7-20-11/h1-5,7,18H,6H2.
What are the key properties of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine?
5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine has a molecular weight of 343.67 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43674721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).