(1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine

C15H19N3S — CID 154953173

IUPAC(1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine
SMILESC=C(/C=C\N(C)C(C)C)Nc1ccc2scnc2c1
InChIInChI=1S/C15H19N3S/c1-11(2)18(4)8-7-12(3)17-13-5-6-15-14(9-13)16-10-19-15/h5-11,17H,3H2,1-2,4H3/b8-7-
InChIKeyXWQDYCLURGZXBG-FPLPWBNLSA-N
MW273.41 g/mol
LogP4.08
Rot. Bonds5

About (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine

(1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine (PubChem CID 154953173) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine
PubChem CID154953173
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name(1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine
SMILESC=C(/C=C\N(C)C(C)C)Nc1ccc2scnc2c1
InChIInChI=1S/C15H19N3S/c1-11(2)18(4)8-7-12(3)17-13-5-6-15-14(9-13)16-10-19-15/h5-11,17H,3H2,1-2,4H3/b8-7-
InChIKeyXWQDYCLURGZXBG-FPLPWBNLSA-N
XLogP4.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine (CID 154953173) is (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine is C=C(/C=C\N(C)C(C)C)Nc1ccc2scnc2c1.
What is the InChIKey of (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine?
The InChIKey is XWQDYCLURGZXBG-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(2)18(4)8-7-12(3)17-13-5-6-15-14(9-13)16-10-19-15/h5-11,17H,3H2,1-2,4H3/b8-7-.
What are the key properties of (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine?
(1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine has a molecular weight of 273.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-N-(1,3-benzothiazol-5-yl)-1-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 154953173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).