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

C13H11ClN2S2 — CID 107803759

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCC(Nc1ccc2ncsc2c1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2S2/c1-8(11-4-5-13(14)18-11)16-9-2-3-10-12(6-9)17-7-15-10/h2-8,16H,1H3
InChIKeyQSAKFIMNNCNODK-UHFFFAOYSA-N
MW294.83 g/mol
LogP5.18
Rot. Bonds3

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine (PubChem CID 107803759) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
PubChem CID107803759
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCC(Nc1ccc2ncsc2c1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2S2/c1-8(11-4-5-13(14)18-11)16-9-2-3-10-12(6-9)17-7-15-10/h2-8,16H,1H3
InChIKeyQSAKFIMNNCNODK-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.83
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 55209675
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine (CID 107803759) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine is CC(Nc1ccc2ncsc2c1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is QSAKFIMNNCNODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c1-8(11-4-5-13(14)18-11)16-9-2-3-10-12(6-9)17-7-15-10/h2-8,16H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 294.83 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).