3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine

C17H19N3S2 — CID 46925866

IUPAC3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
SMILESCC(C)N1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C17H19N3S2/c1-10(2)20-8-7-11-14(9-20)21-16(18)15(11)17-19-12-5-3-4-6-13(12)22-17/h3-6,10H,7-9,18H2,1-2H3
InChIKeyZFLJQELALKICDL-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.37
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine

3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine (PubChem CID 46925866) has the molecular formula C17H19N3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
PubChem CID46925866
Molecular FormulaC17H19N3S2
Molecular Weight329.49 g/mol
Exact Mass329.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
SMILESCC(C)N1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C17H19N3S2/c1-10(2)20-8-7-11-14(9-20)21-16(18)15(11)17-19-12-5-3-4-6-13(12)22-17/h3-6,10H,7-9,18H2,1-2H3
InChIKeyZFLJQELALKICDL-UHFFFAOYSA-N
XLogP4.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine (CID 46925866) is 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine is CC(C)N1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
The InChIKey is ZFLJQELALKICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S2/c1-10(2)20-8-7-11-14(9-20)21-16(18)15(11)17-19-12-5-3-4-6-13(12)22-17/h3-6,10H,7-9,18H2,1-2H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine?
3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine has a molecular weight of 329.49 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine is sourced from PubChem (CID 46925866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).