1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol

C14H20N2OS — CID 113237740

IUPAC1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1nc2ccccc2s1
InChIInChI=1S/C14H20N2OS/c1-14(2,3)8-10(17)9-15-13-16-11-6-4-5-7-12(11)18-13/h4-7,10,17H,8-9H2,1-3H3,(H,15,16)
InChIKeyXXQOBMYJQLGVRK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.51
Rot. Bonds4

About 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol

1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol (PubChem CID 113237740) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
PubChem CID113237740
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1nc2ccccc2s1
InChIInChI=1S/C14H20N2OS/c1-14(2,3)8-10(17)9-15-13-16-11-6-4-5-7-12(11)18-13/h4-7,10,17H,8-9H2,1-3H3,(H,15,16)
InChIKeyXXQOBMYJQLGVRK-UHFFFAOYSA-N
XLogP3.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol
CID 60874725
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
CID 167929863
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine
CID 103603194
1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103837758
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966
N-tert-butyl-1,3-benzothiazol-2-amine;ethane
CID 157105322
N-benzyl-1,3-benzothiazol-2-amine
CID 617555

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol (CID 113237740) is 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is XXQOBMYJQLGVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,3)8-10(17)9-15-13-16-11-6-4-5-7-12(11)18-13/h4-7,10,17H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol?
1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 264.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 113237740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).