7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C15H25N3S — CID 55256919

IUPAC7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCNC1CCCc2nc(N(C)CC3CC3C)sc21
InChIInChI=1S/C15H25N3S/c1-4-16-12-6-5-7-13-14(12)19-15(17-13)18(3)9-11-8-10(11)2/h10-12,16H,4-9H2,1-3H3
InChIKeyHQOJJQDARLXPCM-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.22
Rot. Bonds5

About 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 55256919) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID55256919
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCNC1CCCc2nc(N(C)CC3CC3C)sc21
InChIInChI=1S/C15H25N3S/c1-4-16-12-6-5-7-13-14(12)19-15(17-13)18(3)9-11-8-10(11)2/h10-12,16H,4-9H2,1-3H3
InChIKeyHQOJJQDARLXPCM-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 55256919) is 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CCNC1CCCc2nc(N(C)CC3CC3C)sc21.
What is the InChIKey of 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is HQOJJQDARLXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-16-12-6-5-7-13-14(12)19-15(17-13)18(3)9-11-8-10(11)2/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 279.45 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 7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 55256919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).