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

C14H25N3OS — CID 102998001

IUPAC2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCN(CCCN(C)C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C14H25N3OS/c1-4-17(10-6-9-16(2)3)14-15-13-11(18)7-5-8-12(13)19-14/h11,18H,4-10H2,1-3H3
InChIKeyPERQCBYOORBZOT-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.29
Rot. Bonds6

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

2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 102998001) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID102998001
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCN(CCCN(C)C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C14H25N3OS/c1-4-17(10-6-9-16(2)3)14-15-13-11(18)7-5-8-12(13)19-14/h11,18H,4-10H2,1-3H3
InChIKeyPERQCBYOORBZOT-UHFFFAOYSA-N
XLogP2.29
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 102998001) is 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CCN(CCCN(C)C)c1nc2c(s1)CCCC2O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is PERQCBYOORBZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-17(10-6-9-16(2)3)14-15-13-11(18)7-5-8-12(13)19-14/h11,18H,4-10H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 283.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 102998001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).