4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide

C15H18N2OS — CID 72689787

IUPAC4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide
SMILESCc1ccc2nc(NC(=O)C=CC(C)(C)C)sc2c1
InChIInChI=1S/C15H18N2OS/c1-10-5-6-11-12(9-10)19-14(16-11)17-13(18)7-8-15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyADUCIEBLCMXPAG-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.15
Rot. Bonds2

About 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide

4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide (PubChem CID 72689787) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide
PubChem CID72689787
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide
SMILESCc1ccc2nc(NC(=O)C=CC(C)(C)C)sc2c1
InChIInChI=1S/C15H18N2OS/c1-10-5-6-11-12(9-10)19-14(16-11)17-13(18)7-8-15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyADUCIEBLCMXPAG-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide
CID 47143968
(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2701436
3-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 4123336
(E)-3-(3-iodophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 6056994
(E)-3-(3-bromophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7919941
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 60851102
2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide
CID 79142506
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
2-(aminomethyl)-4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide
CID 107470948
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)but-2-enamide
CID 108761712
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23933114

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide?
The IUPAC name of 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide (CID 72689787) is 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide.
What is the SMILES notation for 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide?
The canonical SMILES for 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide is Cc1ccc2nc(NC(=O)C=CC(C)(C)C)sc2c1.
What is the InChIKey of 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide?
The InChIKey is ADUCIEBLCMXPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-5-6-11-12(9-10)19-14(16-11)17-13(18)7-8-15(2,3)4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide?
4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide has a molecular weight of 274.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide is sourced from PubChem (CID 72689787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).