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

C11H12ClNS — CID 118344265

IUPAC7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole
SMILESCc1nc2ccc(C(C)C)c(Cl)c2s1
InChIInChI=1S/C11H12ClNS/c1-6(2)8-4-5-9-11(10(8)12)14-7(3)13-9/h4-6H,1-3H3
InChIKeyIPUFGPXSVBMTNB-UHFFFAOYSA-N
MW225.74 g/mol
LogP4.38
Rot. Bonds1

About 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole

7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole (PubChem CID 118344265) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole
PubChem CID118344265
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole
SMILESCc1nc2ccc(C(C)C)c(Cl)c2s1
InChIInChI=1S/C11H12ClNS/c1-6(2)8-4-5-9-11(10(8)12)14-7(3)13-9/h4-6H,1-3H3
InChIKeyIPUFGPXSVBMTNB-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole (CID 118344265) is 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole is Cc1nc2ccc(C(C)C)c(Cl)c2s1.
What is the InChIKey of 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole?
The InChIKey is IPUFGPXSVBMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS/c1-6(2)8-4-5-9-11(10(8)12)14-7(3)13-9/h4-6H,1-3H3.
What are the key properties of 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole?
7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole has a molecular weight of 225.74 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 118344265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).