5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine

C11H8ClN3S2 — CID 61171394

IUPAC5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NCc1cscn1
InChIInChI=1S/C11H8ClN3S2/c12-8-1-2-9-11(15-6-17-9)10(8)13-3-7-4-16-5-14-7/h1-2,4-6,13H,3H2
InChIKeyZJOKKFFUFIJKGV-UHFFFAOYSA-N
MW281.79 g/mol
LogP4.02
Rot. Bonds3

About 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine

5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine (PubChem CID 61171394) has the molecular formula C11H8ClN3S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
PubChem CID61171394
Molecular FormulaC11H8ClN3S2
Molecular Weight281.79 g/mol
Exact Mass280.98
IUPAC Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NCc1cscn1
InChIInChI=1S/C11H8ClN3S2/c12-8-1-2-9-11(15-6-17-9)10(8)13-3-7-4-16-5-14-7/h1-2,4-6,13H,3H2
InChIKeyZJOKKFFUFIJKGV-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
5-chloro-N-[(2,4,6-trimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674748
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 106816279
5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674721
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985
N-[(2-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43674813
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
4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61168854
5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine
CID 43674780
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 63120597

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine (CID 61171394) is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine is Clc1ccc2scnc2c1NCc1cscn1.
What is the InChIKey of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine?
The InChIKey is ZJOKKFFUFIJKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S2/c12-8-1-2-9-11(15-6-17-9)10(8)13-3-7-4-16-5-14-7/h1-2,4-6,13H,3H2.
What are the key properties of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine?
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine has a molecular weight of 281.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 61171394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).