2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C15H21N3OS — CID 64977058

IUPAC2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)Cc3ccoc3C)nc21
InChIInChI=1S/C15H21N3OS/c1-10-11(7-8-19-10)9-18(3)15-17-14-12(16-2)5-4-6-13(14)20-15/h7-8,12,16H,4-6,9H2,1-3H3
InChIKeyGGVHTXHGRGWXFN-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.28
Rot. Bonds4

About 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977058) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977058
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)Cc3ccoc3C)nc21
InChIInChI=1S/C15H21N3OS/c1-10-11(7-8-19-10)9-18(3)15-17-14-12(16-2)5-4-6-13(14)20-15/h7-8,12,16H,4-6,9H2,1-3H3
InChIKeyGGVHTXHGRGWXFN-UHFFFAOYSA-N
XLogP3.28
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977058) is 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CNC1CCCc2sc(N(C)Cc3ccoc3C)nc21.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is GGVHTXHGRGWXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-11(7-8-19-10)9-18(3)15-17-14-12(16-2)5-4-6-13(14)20-15/h7-8,12,16H,4-6,9H2,1-3H3.
What are the key properties of 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).