2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C11H18N2OS — CID 64977574

IUPAC2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCCN(C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C11H18N2OS/c1-3-7-13(2)11-12-10-8(14)5-4-6-9(10)15-11/h8,14H,3-7H2,1-2H3
InChIKeyFBXXXTDTUQYDLR-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.36
Rot. Bonds3

About 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64977574) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64977574
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCCN(C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C11H18N2OS/c1-3-7-13(2)11-12-10-8(14)5-4-6-9(10)15-11/h8,14H,3-7H2,1-2H3
InChIKeyFBXXXTDTUQYDLR-UHFFFAOYSA-N
XLogP2.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64977574) is 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CCCN(C)c1nc2c(s1)CCCC2O.
What is the InChIKey of 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is FBXXXTDTUQYDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-7-13(2)11-12-10-8(14)5-4-6-9(10)15-11/h8,14H,3-7H2,1-2H3.
What are the key properties of 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 226.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64977574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).