6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine

C16H15ClN2OS — CID 79525686

IUPAC6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C16H15ClN2OS/c1-10(2)20-13-6-4-12(5-7-13)18-16-19-14-8-3-11(17)9-15(14)21-16/h3-10H,1-2H3,(H,18,19)
InChIKeyMJTGBBTXOLEUGK-UHFFFAOYSA-N
MW318.83 g/mol
LogP5.48
Rot. Bonds4

About 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine

6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79525686) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID79525686
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C16H15ClN2OS/c1-10(2)20-13-6-4-12(5-7-13)18-16-19-14-8-3-11(17)9-15(14)21-16/h3-10H,1-2H3,(H,18,19)
InChIKeyMJTGBBTXOLEUGK-UHFFFAOYSA-N
XLogP5.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.83
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878027
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
1-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-5-methoxy-3-methylpentan-1-one
CID 150687201

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine (CID 79525686) is 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine is CC(C)Oc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is MJTGBBTXOLEUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10(2)20-13-6-4-12(5-7-13)18-16-19-14-8-3-11(17)9-15(14)21-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 318.83 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).