2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

C15H25N3S — CID 62750758

IUPAC2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(c1nc2c(s1)C(NC)CC(C)(C)C2)C1CC1
InChIInChI=1S/C15H25N3S/c1-5-18(10-6-7-10)14-17-12-9-15(2,3)8-11(16-4)13(12)19-14/h10-11,16H,5-9H2,1-4H3
InChIKeyMBZDIMGIANRWRM-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.36
Rot. Bonds4

About 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (PubChem CID 62750758) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
PubChem CID62750758
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(c1nc2c(s1)C(NC)CC(C)(C)C2)C1CC1
InChIInChI=1S/C15H25N3S/c1-5-18(10-6-7-10)14-17-12-9-15(2,3)8-11(16-4)13(12)19-14/h10-11,16H,5-9H2,1-4H3
InChIKeyMBZDIMGIANRWRM-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (CID 62750758) is 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is CCN(c1nc2c(s1)C(NC)CC(C)(C)C2)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The InChIKey is MBZDIMGIANRWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-5-18(10-6-7-10)14-17-12-9-15(2,3)8-11(16-4)13(12)19-14/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine has a molecular weight of 279.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62750758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).