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

C17H17ClN2S — CID 79525572

IUPAC6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine
SMILESCCc1cccc(CC)c1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H17ClN2S/c1-3-11-6-5-7-12(4-2)16(11)20-17-19-14-9-8-13(18)10-15(14)21-17/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyRFGHATPKFCBFRU-UHFFFAOYSA-N
MW316.86 g/mol
LogP5.82
Rot. Bonds4

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

6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79525572) has the molecular formula C17H17ClN2S and a molecular weight of 316.86 g/mol. Its IUPAC name is 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine
PubChem CID79525572
Molecular FormulaC17H17ClN2S
Molecular Weight316.86 g/mol
Exact Mass316.08
IUPAC Name6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine
SMILESCCc1cccc(CC)c1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H17ClN2S/c1-3-11-6-5-7-12(4-2)16(11)20-17-19-14-9-8-13(18)10-15(14)21-17/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyRFGHATPKFCBFRU-UHFFFAOYSA-N
XLogP5.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.86
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine
CID 79527732
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzonitrile
CID 107106288
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
2-N-(2-ethylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402819

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine (CID 79525572) is 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine is CCc1cccc(CC)c1Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is RFGHATPKFCBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2S/c1-3-11-6-5-7-12(4-2)16(11)20-17-19-14-9-8-13(18)10-15(14)21-17/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 316.86 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).