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

C16H15ClN2OS — CID 82549208

IUPACN-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
SMILESCOc1cc(Cl)c(C)c2sc(NCc3ccccc3)nc12
InChIInChI=1S/C16H15ClN2OS/c1-10-12(17)8-13(20-2)14-15(10)21-16(19-14)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySXHXRTWBVKGNHO-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.88
Rot. Bonds4

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

N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549208) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
PubChem CID82549208
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
SMILESCOc1cc(Cl)c(C)c2sc(NCc3ccccc3)nc12
InChIInChI=1S/C16H15ClN2OS/c1-10-12(17)8-13(20-2)14-15(10)21-16(19-14)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySXHXRTWBVKGNHO-UHFFFAOYSA-N
XLogP4.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
CID 142389723
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
4-N-benzyl-2-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915613

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine (CID 82549208) is N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine is COc1cc(Cl)c(C)c2sc(NCc3ccccc3)nc12.
What is the InChIKey of N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is SXHXRTWBVKGNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10-12(17)8-13(20-2)14-15(10)21-16(19-14)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 318.83 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).