6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine

C14H19ClN2O2S — CID 82548540

IUPAC6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1cc(Cl)c(OCCC)c2sc(NC)nc12
InChIInChI=1S/C14H19ClN2O2S/c1-4-6-18-10-8-9(15)12(19-7-5-2)13-11(10)17-14(16-3)20-13/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyXNLOHQJBRUEKQE-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.57
Rot. Bonds7

About 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine

6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine (PubChem CID 82548540) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
PubChem CID82548540
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1cc(Cl)c(OCCC)c2sc(NC)nc12
InChIInChI=1S/C14H19ClN2O2S/c1-4-6-18-10-8-9(15)12(19-7-5-2)13-11(10)17-14(16-3)20-13/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyXNLOHQJBRUEKQE-UHFFFAOYSA-N
XLogP4.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
5,7-dichloro-N-ethyl-4-propoxy-1,3-benzothiazol-2-amine
CID 82548631
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549451
6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane
CID 178049033
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
CID 82549217
7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
CID 142389723
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 96710360
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 82549012
4-chloro-2-ethyl-8-propoxyquinoline
CID 43668471
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine (CID 82548540) is 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine is CCCOc1cc(Cl)c(OCCC)c2sc(NC)nc12.
What is the InChIKey of 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine?
The InChIKey is XNLOHQJBRUEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-4-6-18-10-8-9(15)12(19-7-5-2)13-11(10)17-14(16-3)20-13/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine?
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine has a molecular weight of 314.84 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).