2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C14H25N3S — CID 64977023

IUPAC2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)CCC(C)C)nc21
InChIInChI=1S/C14H25N3S/c1-10(2)8-9-17(4)14-16-13-11(15-3)6-5-7-12(13)18-14/h10-11,15H,5-9H2,1-4H3
InChIKeyQGZYDGKDTZOIOY-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.22
Rot. Bonds5

About 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977023) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977023
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)CCC(C)C)nc21
InChIInChI=1S/C14H25N3S/c1-10(2)8-9-17(4)14-16-13-11(15-3)6-5-7-12(13)18-14/h10-11,15H,5-9H2,1-4H3
InChIKeyQGZYDGKDTZOIOY-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977023) is 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CNC1CCCc2sc(N(C)CCC(C)C)nc21.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is QGZYDGKDTZOIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)8-9-17(4)14-16-13-11(15-3)6-5-7-12(13)18-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 267.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).