2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C15H27N3OS — CID 64977301

IUPAC2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCNC1CCCc2sc(N(CC)C(C)COC)nc21
InChIInChI=1S/C15H27N3OS/c1-5-16-12-8-7-9-13-14(12)17-15(20-13)18(6-2)11(3)10-19-4/h11-12,16H,5-10H2,1-4H3
InChIKeyZNBPAHLQILWIHX-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.99
Rot. Bonds7

About 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977301) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977301
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCNC1CCCc2sc(N(CC)C(C)COC)nc21
InChIInChI=1S/C15H27N3OS/c1-5-16-12-8-7-9-13-14(12)17-15(20-13)18(6-2)11(3)10-19-4/h11-12,16H,5-10H2,1-4H3
InChIKeyZNBPAHLQILWIHX-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.99
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-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977301) is 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CCNC1CCCc2sc(N(CC)C(C)COC)nc21.
What is the InChIKey of 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is ZNBPAHLQILWIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-16-12-8-7-9-13-14(12)17-15(20-13)18(6-2)11(3)10-19-4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 297.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-2-N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).