2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C16H27N3OS — CID 62754525

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN(C)C1CCN(c2nc3c(s2)C(O)CC(C)(C)C3)CC1
InChIInChI=1S/C16H27N3OS/c1-16(2)9-12-14(13(20)10-16)21-15(17-12)19-7-5-11(6-8-19)18(3)4/h11,13,20H,5-10H2,1-4H3
InChIKeyKZCCEKOQDNFKRD-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.68
Rot. Bonds2

About 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62754525) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62754525
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN(C)C1CCN(c2nc3c(s2)C(O)CC(C)(C)C3)CC1
InChIInChI=1S/C16H27N3OS/c1-16(2)9-12-14(13(20)10-16)21-15(17-12)19-7-5-11(6-8-19)18(3)4/h11,13,20H,5-10H2,1-4H3
InChIKeyKZCCEKOQDNFKRD-UHFFFAOYSA-N
XLogP2.68
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62754525) is 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CN(C)C1CCN(c2nc3c(s2)C(O)CC(C)(C)C3)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is KZCCEKOQDNFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2)9-12-14(13(20)10-16)21-15(17-12)19-7-5-11(6-8-19)18(3)4/h11,13,20H,5-10H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 309.48 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62754525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).