2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H18Cl2N2S — CID 62091311

IUPAC2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(Cc3ccc(Cl)cc3Cl)sc2C(N)C1
InChIInChI=1S/C16H18Cl2N2S/c1-16(2)7-12(19)15-13(8-16)20-14(21-15)5-9-3-4-10(17)6-11(9)18/h3-4,6,12H,5,7-8,19H2,1-2H3
InChIKeyCPZZAOAEISRWHT-UHFFFAOYSA-N
MW341.31 g/mol
LogP5.01
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62091311) has the molecular formula C16H18Cl2N2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62091311
Molecular FormulaC16H18Cl2N2S
Molecular Weight341.31 g/mol
Exact Mass340.06
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(Cc3ccc(Cl)cc3Cl)sc2C(N)C1
InChIInChI=1S/C16H18Cl2N2S/c1-16(2)7-12(19)15-13(8-16)20-14(21-15)5-9-3-4-10(17)6-11(9)18/h3-4,6,12H,5,7-8,19H2,1-2H3
InChIKeyCPZZAOAEISRWHT-UHFFFAOYSA-N
XLogP5.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62493383
2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62944736
2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65141538
2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62795813
2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548431
2-[(2-bromophenyl)methyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62830365
2-[(3-chlorophenyl)sulfanylmethyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 66145818
5,5-dimethyl-2-(3-nitrophenyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089380
2-(3-ethyl-2-pyridinyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 82741018
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62494069
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859
2-N-cyclopentyl-2-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750837

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62091311) is 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC1(C)Cc2nc(Cc3ccc(Cl)cc3Cl)sc2C(N)C1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is CPZZAOAEISRWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2S/c1-16(2)7-12(19)15-13(8-16)20-14(21-15)5-9-3-4-10(17)6-11(9)18/h3-4,6,12H,5,7-8,19H2,1-2H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 341.31 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62091311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).