2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C15H25N3S — CID 64977234

IUPAC2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCCCN(c1nc2c(s1)CCCC2NC)C1CC1
InChIInChI=1S/C15H25N3S/c1-3-4-10-18(11-8-9-11)15-17-14-12(16-2)6-5-7-13(14)19-15/h11-12,16H,3-10H2,1-2H3
InChIKeyKKOZLTWLTXTMOB-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.51
Rot. Bonds6

About 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977234) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977234
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCCCN(c1nc2c(s1)CCCC2NC)C1CC1
InChIInChI=1S/C15H25N3S/c1-3-4-10-18(11-8-9-11)15-17-14-12(16-2)6-5-7-13(14)19-15/h11-12,16H,3-10H2,1-2H3
InChIKeyKKOZLTWLTXTMOB-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977234) is 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CCCCN(c1nc2c(s1)CCCC2NC)C1CC1.
What is the InChIKey of 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is KKOZLTWLTXTMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-4-10-18(11-8-9-11)15-17-14-12(16-2)6-5-7-13(14)19-15/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 279.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).