1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol

C13H19N3OS — CID 103837758

IUPAC1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc2ccccc2s1
InChIInChI=1S/C13H19N3OS/c1-13(17,9-16(2)3)8-14-12-15-10-6-4-5-7-11(10)18-12/h4-7,17H,8-9H2,1-3H3,(H,14,15)
InChIKeyQBMWIZRJVYKWPM-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.02
Rot. Bonds5

About 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103837758) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103837758
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc2ccccc2s1
InChIInChI=1S/C13H19N3OS/c1-13(17,9-16(2)3)8-14-12-15-10-6-4-5-7-11(10)18-12/h4-7,17H,8-9H2,1-3H3,(H,14,15)
InChIKeyQBMWIZRJVYKWPM-UHFFFAOYSA-N
XLogP2.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine
CID 114164222
N-(1,3-benzothiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149292
1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 133451634
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 47446323
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
CID 113237740
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-tert-butyl-1,3-benzothiazol-2-amine;ethane
CID 157105322
3-(1,3-benzothiazol-2-ylamino)propane-1-thiol
CID 101455251
2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid
CID 87530986

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 103837758) is 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is QBMWIZRJVYKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(17,9-16(2)3)8-14-12-15-10-6-4-5-7-11(10)18-12/h4-7,17H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 265.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103837758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).