methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate

C11H11ClN2O3S — CID 82549217

IUPACmethyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
SMILESCNc1nc2c(Cl)cc(C(=O)OC)c(OC)c2s1
InChIInChI=1S/C11H11ClN2O3S/c1-13-11-14-7-6(12)4-5(10(15)17-3)8(16-2)9(7)18-11/h4H,1-3H3,(H,13,14)
InChIKeyRJFLCNLUQDQJDE-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.79
Rot. Bonds3

About methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate

methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate (PubChem CID 82549217) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
PubChem CID82549217
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Namemethyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
SMILESCNc1nc2c(Cl)cc(C(=O)OC)c(OC)c2s1
InChIInChI=1S/C11H11ClN2O3S/c1-13-11-14-7-6(12)4-5(10(15)17-3)8(16-2)9(7)18-11/h4H,1-3H3,(H,13,14)
InChIKeyRJFLCNLUQDQJDE-UHFFFAOYSA-N
XLogP2.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-(ethylamino)-7-methoxy-1,3-benzothiazole-6-carboxylate
CID 82549216
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 96710360
methyl 4,5-dichloro-2-(methylamino)benzoate
CID 156642662
7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549451
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
methyl 7-chloro-4-ethoxy-2H-benzotriazole-5-carboxylate
CID 10587144
4,5-dichloro-2-methoxycarbonylbenzoate
CID 71345963
ethane;methyl 4-bromo-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylate
CID 143810433
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
CID 82548540

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate?
The IUPAC name of methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate (CID 82549217) is methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate is CNc1nc2c(Cl)cc(C(=O)OC)c(OC)c2s1.
What is the InChIKey of methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate?
The InChIKey is RJFLCNLUQDQJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-13-11-14-7-6(12)4-5(10(15)17-3)8(16-2)9(7)18-11/h4H,1-3H3,(H,13,14).
What are the key properties of methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate?
methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate has a molecular weight of 286.74 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 82549217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).