(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide

C14H14N2OS — CID 47143968

IUPAC(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C14H14N2OS/c1-3-4-5-6-13(17)16-14-15-11-8-7-10(2)9-12(11)18-14/h3-9H,1-2H3,(H,15,16,17)/b4-3+,6-5+
InChIKeyRDHKJZYDGHNXKK-VNKDHWASSA-N
MW258.35 g/mol
LogP3.68
Rot. Bonds3

About (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide

(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide (PubChem CID 47143968) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide
PubChem CID47143968
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C14H14N2OS/c1-3-4-5-6-13(17)16-14-15-11-8-7-10(2)9-12(11)18-14/h3-9H,1-2H3,(H,15,16,17)/b4-3+,6-5+
InChIKeyRDHKJZYDGHNXKK-VNKDHWASSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide
CID 72689787
(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2701436
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)but-2-enamide
CID 108761712
N-(6-bromo-1,3-benzothiazol-2-yl)but-2-enamide
CID 5196621
(E)-3-(3-iodophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 6056994
3-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 4123336
(E)-3-(3-bromophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7919941
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23933114
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide (CID 47143968) is (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide?
The InChIKey is RDHKJZYDGHNXKK-VNKDHWASSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-3-4-5-6-13(17)16-14-15-11-8-7-10(2)9-12(11)18-14/h3-9H,1-2H3,(H,15,16,17)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide?
(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide has a molecular weight of 258.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 47143968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).