N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine

C14H13ClN2OS2 — CID 106049337

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCc3ccc(Cl)s3)sc2c1
InChIInChI=1S/C14H13ClN2OS2/c1-18-9-2-4-11-12(8-9)20-14(17-11)16-7-6-10-3-5-13(15)19-10/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeySLSWXBPYRMPXSH-UHFFFAOYSA-N
MW324.86 g/mol
LogP4.67
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 106049337) has the molecular formula C14H13ClN2OS2 and a molecular weight of 324.86 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID106049337
Molecular FormulaC14H13ClN2OS2
Molecular Weight324.86 g/mol
Exact Mass324.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCc3ccc(Cl)s3)sc2c1
InChIInChI=1S/C14H13ClN2OS2/c1-18-9-2-4-11-12(8-9)20-14(17-11)16-7-6-10-3-5-13(15)19-10/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeySLSWXBPYRMPXSH-UHFFFAOYSA-N
XLogP4.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106406315
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049325
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79512590
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 55464124
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 79519042
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (CID 106049337) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NCCc3ccc(Cl)s3)sc2c1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is SLSWXBPYRMPXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS2/c1-18-9-2-4-11-12(8-9)20-14(17-11)16-7-6-10-3-5-13(15)19-10/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 324.86 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106049337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).