2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C13H15ClN2S2 — CID 55032326

IUPAC2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3ccc(Cl)s3)sc2C(N)C1
InChIInChI=1S/C13H15ClN2S2/c1-13(2)5-7(15)11-8(6-13)16-12(18-11)9-3-4-10(14)17-9/h3-4,7H,5-6,15H2,1-2H3
InChIKeyNQWPOZMZUHQBQE-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.50
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 55032326) has the molecular formula C13H15ClN2S2 and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID55032326
Molecular FormulaC13H15ClN2S2
Molecular Weight298.86 g/mol
Exact Mass298.04
IUPAC Name2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3ccc(Cl)s3)sc2C(N)C1
InChIInChI=1S/C13H15ClN2S2/c1-13(2)5-7(15)11-8(6-13)16-12(18-11)9-3-4-10(14)17-9/h3-4,7H,5-6,15H2,1-2H3
InChIKeyNQWPOZMZUHQBQE-UHFFFAOYSA-N
XLogP4.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 55032326) is 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC1(C)Cc2nc(-c3ccc(Cl)s3)sc2C(N)C1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is NQWPOZMZUHQBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S2/c1-13(2)5-7(15)11-8(6-13)16-12(18-11)9-3-4-10(14)17-9/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 298.86 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 55032326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).