5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine

C11H7Cl2N3S2 — CID 164619590

IUPAC5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
SMILESClc1cnc(CNc2cc3sncc3cc2Cl)s1
InChIInChI=1S/C11H7Cl2N3S2/c12-7-1-6-3-16-18-9(6)2-8(7)14-5-11-15-4-10(13)17-11/h1-4,14H,5H2
InChIKeyGFNMKESSHVFPQM-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.67
Rot. Bonds3

About 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine

5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine (PubChem CID 164619590) has the molecular formula C11H7Cl2N3S2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
PubChem CID164619590
Molecular FormulaC11H7Cl2N3S2
Molecular Weight316.24 g/mol
Exact Mass314.95
IUPAC Name5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
SMILESClc1cnc(CNc2cc3sncc3cc2Cl)s1
InChIInChI=1S/C11H7Cl2N3S2/c12-7-1-6-3-16-18-9(6)2-8(7)14-5-11-15-4-10(13)17-11/h1-4,14H,5H2
InChIKeyGFNMKESSHVFPQM-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine?
The IUPAC name of 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine (CID 164619590) is 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine.
What is the SMILES notation for 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine?
The canonical SMILES for 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine is Clc1cnc(CNc2cc3sncc3cc2Cl)s1.
What is the InChIKey of 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine?
The InChIKey is GFNMKESSHVFPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3S2/c12-7-1-6-3-16-18-9(6)2-8(7)14-5-11-15-4-10(13)17-11/h1-4,14H,5H2.
What are the key properties of 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine?
5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine has a molecular weight of 316.24 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine is sourced from PubChem (CID 164619590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).