6-chloro-2-propan-2-yl-1,3-benzothiazole

C10H10ClNS — CID 18340659

IUPAC6-chloro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C10H10ClNS/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3
InChIKeyQNIJSWMZDPWJAA-UHFFFAOYSA-N
MW211.72 g/mol
LogP4.07
Rot. Bonds1

About 6-chloro-2-propan-2-yl-1,3-benzothiazole

6-chloro-2-propan-2-yl-1,3-benzothiazole (PubChem CID 18340659) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-1,3-benzothiazole
PubChem CID18340659
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name6-chloro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C10H10ClNS/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3
InChIKeyQNIJSWMZDPWJAA-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(6-chloro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873391
3-(6-chloro-1,3-benzothiazol-2-yl)butanoic acid
CID 119086695
6-chloro-2-[chloro(phenyl)methyl]-1,3-benzothiazole
CID 79528975
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
(6-chloro-1,3-benzothiazol-2-yl)-cyclohexylmethanamine
CID 79528629
ethyl 2-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanoate
CID 79529044
6-chloro-2-iodo-1,3-benzothiazole
CID 18967167
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 79528112
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
2-butan-2-yl-5-chloro-1,3-benzothiazole
CID 58291254
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-propan-2-yl-1,3-benzothiazole (CID 18340659) is 6-chloro-2-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-propan-2-yl-1,3-benzothiazole is CC(C)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-2-propan-2-yl-1,3-benzothiazole?
The InChIKey is QNIJSWMZDPWJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3.
What are the key properties of 6-chloro-2-propan-2-yl-1,3-benzothiazole?
6-chloro-2-propan-2-yl-1,3-benzothiazole has a molecular weight of 211.72 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 18340659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).