1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol

C15H22N2OS — CID 79818294

IUPAC1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1nc2ccccc2s1)N(C)C
InChIInChI=1S/C15H22N2OS/c1-5-15(2,17(3)4)13(18)10-14-16-11-8-6-7-9-12(11)19-14/h6-9,13,18H,5,10H2,1-4H3
InChIKeyJMYGSCPITJTFJC-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.93
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol

1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol (PubChem CID 79818294) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
PubChem CID79818294
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1nc2ccccc2s1)N(C)C
InChIInChI=1S/C15H22N2OS/c1-5-15(2,17(3)4)13(18)10-14-16-11-8-6-7-9-12(11)19-14/h6-9,13,18H,5,10H2,1-4H3
InChIKeyJMYGSCPITJTFJC-UHFFFAOYSA-N
XLogP2.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]sulfanylbutan-2-ol
CID 96958224
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
1-(1,3-benzothiazol-2-yl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713364
1-(1,3-benzothiazol-2-yl)-2-methylbutan-2-ol
CID 79819076
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol (CID 79818294) is 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol is CCC(C)(C(O)Cc1nc2ccccc2s1)N(C)C.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
The InChIKey is JMYGSCPITJTFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-5-15(2,17(3)4)13(18)10-14-16-11-8-6-7-9-12(11)19-14/h6-9,13,18H,5,10H2,1-4H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol has a molecular weight of 278.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 79818294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).