2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H26N4OS — CID 62889589

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(C)CCN1CCN(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C15H26N4OS/c1-17(2)6-7-18-8-10-19(11-9-18)15-16-12-4-3-5-13(20)14(12)21-15/h13,20H,3-11H2,1-2H3
InChIKeyFURGIIQPRDQEPN-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.20
Rot. Bonds4

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62889589) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62889589
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(C)CCN1CCN(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C15H26N4OS/c1-17(2)6-7-18-8-10-19(11-9-18)15-16-12-4-3-5-13(20)14(12)21-15/h13,20H,3-11H2,1-2H3
InChIKeyFURGIIQPRDQEPN-UHFFFAOYSA-N
XLogP1.20
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62754367
2-[3-(diethylamino)pyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512716
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 79164749
2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 102997998
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512884
2-(3-propoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753542
2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750372
[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396952
2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62754174
2-[4-(dimethylamino)piperidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754525
2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889258
2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55112269

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62889589) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CN(C)CCN1CCN(c2nc3c(s2)C(O)CCC3)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is FURGIIQPRDQEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-17(2)6-7-18-8-10-19(11-9-18)15-16-12-4-3-5-13(20)14(12)21-15/h13,20H,3-11H2,1-2H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 310.47 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62889589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).