4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide

C13H18N2OS2 — CID 141102835

IUPAC4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide
SMILESCC(C)c1ccc2sc(S(N)=O)nc2c1C(C)C
InChIInChI=1S/C13H18N2OS2/c1-7(2)9-5-6-10-12(11(9)8(3)4)15-13(17-10)18(14)16/h5-8H,14H2,1-4H3
InChIKeyOFRCKVRPMXHCMW-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.52
Rot. Bonds3

About 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide

4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide (PubChem CID 141102835) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide
PubChem CID141102835
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide
SMILESCC(C)c1ccc2sc(S(N)=O)nc2c1C(C)C
InChIInChI=1S/C13H18N2OS2/c1-7(2)9-5-6-10-12(11(9)8(3)4)15-13(17-10)18(14)16/h5-8H,14H2,1-4H3
InChIKeyOFRCKVRPMXHCMW-UHFFFAOYSA-N
XLogP3.52
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole
CID 135130168
2,4-di(propan-2-yl)-1,3-benzothiazole;thiohydroxylamine
CID 19850946
4,5-di(propan-2-yl)-1,2-benzothiazole
CID 118099941
4-propan-2-yl-1,3-benzothiazole-2-carbaldehyde
CID 84620576
2-propan-2-yl-1,3-benzothiazol-4-amine
CID 83818222
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine
CID 61367097
bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
CID 165025507
1-(chloromethyl)-2,3,4-tri(propan-2-yl)benzene
CID 70608971
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630
3-(difluoromethyl)-6-propan-2-ylpyridin-2-amine
CID 169118624
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide?
The IUPAC name of 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide (CID 141102835) is 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide.
What is the SMILES notation for 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide?
The canonical SMILES for 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide is CC(C)c1ccc2sc(S(N)=O)nc2c1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide?
The InChIKey is OFRCKVRPMXHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-7(2)9-5-6-10-12(11(9)8(3)4)15-13(17-10)18(14)16/h5-8H,14H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide?
4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide has a molecular weight of 282.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1,3-benzothiazole-2-sulfinamide is sourced from PubChem (CID 141102835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).