6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine

C14H13ClN2S2 — CID 79525588

IUPAC6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCCC(Nc1nc2ccc(Cl)cc2s1)c1cccs1
InChIInChI=1S/C14H13ClN2S2/c1-2-10(12-4-3-7-18-12)16-14-17-11-6-5-9(15)8-13(11)19-14/h3-8,10H,2H2,1H3,(H,16,17)
InChIKeyIPCZWQMFLIEVGA-UHFFFAOYSA-N
MW308.86 g/mol
LogP5.57
Rot. Bonds4

About 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine

6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 79525588) has the molecular formula C14H13ClN2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
PubChem CID79525588
Molecular FormulaC14H13ClN2S2
Molecular Weight308.86 g/mol
Exact Mass308.02
IUPAC Name6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
SMILESCCC(Nc1nc2ccc(Cl)cc2s1)c1cccs1
InChIInChI=1S/C14H13ClN2S2/c1-2-10(12-4-3-7-18-12)16-14-17-11-6-5-9(15)8-13(11)19-14/h3-8,10H,2H2,1H3,(H,16,17)
InChIKeyIPCZWQMFLIEVGA-UHFFFAOYSA-N
XLogP5.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.86
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 79528939
4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
CID 106595404
7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
CID 63540112
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(4-phenylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79526366
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79525887
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine
CID 79525572
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 79525693
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine (CID 79525588) is 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine is CCC(Nc1nc2ccc(Cl)cc2s1)c1cccs1.
What is the InChIKey of 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is IPCZWQMFLIEVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S2/c1-2-10(12-4-3-7-18-12)16-14-17-11-6-5-9(15)8-13(11)19-14/h3-8,10H,2H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 308.86 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).