5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole

C14H19NS — CID 134533017

IUPAC5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)Cc1ccc2sc(C(C)C)nc2c1
InChIInChI=1S/C14H19NS/c1-9(2)7-11-5-6-13-12(8-11)15-14(16-13)10(3)4/h5-6,8-10H,7H2,1-4H3
InChIKeyHLQRCZARQXRDPH-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.62
Rot. Bonds3

About 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole

5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole (PubChem CID 134533017) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
PubChem CID134533017
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)Cc1ccc2sc(C(C)C)nc2c1
InChIInChI=1S/C14H19NS/c1-9(2)7-11-5-6-13-12(8-11)15-14(16-13)10(3)4/h5-6,8-10H,7H2,1-4H3
InChIKeyHLQRCZARQXRDPH-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylthio)benzothiazole
CID 11989
2-Methylbenzothiazole
CID 8446
2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
Thioflavin T
CID 16953
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
CID 384525
2-(4-Aminophenyl)benzothiazole
CID 234475
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 95755
2-Phenylbenzothiazole
CID 13439
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 396813
Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-
CID 82450
2,5,6-Trimethylbenzothiazole
CID 79765

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole (CID 134533017) is 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole is CC(C)Cc1ccc2sc(C(C)C)nc2c1.
What is the InChIKey of 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole?
The InChIKey is HLQRCZARQXRDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-9(2)7-11-5-6-13-12(8-11)15-14(16-13)10(3)4/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole?
5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole has a molecular weight of 233.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 134533017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).