N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide

C16H16N4OS — CID 151362799

IUPACN,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)N(C)C)c1c(-c2ccccc2)nc2sc(C)nn12
InChIInChI=1S/C16H16N4OS/c1-10(15(21)19(3)4)14-13(12-8-6-5-7-9-12)17-16-20(14)18-11(2)22-16/h5-9H,1H2,2-4H3
InChIKeyOOUXNLRFDCFEQG-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.87
Rot. Bonds3

About N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide

N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide (PubChem CID 151362799) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide
PubChem CID151362799
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)N(C)C)c1c(-c2ccccc2)nc2sc(C)nn12
InChIInChI=1S/C16H16N4OS/c1-10(15(21)19(3)4)14-13(12-8-6-5-7-9-12)17-16-20(14)18-11(2)22-16/h5-9H,1H2,2-4H3
InChIKeyOOUXNLRFDCFEQG-UHFFFAOYSA-N
XLogP2.87
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
3-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 54119628
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N,N-dimethyl-2-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetamide
CID 132554442
3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163190
1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide
CID 53163198
4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163162
2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163185
(3E)-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 155816046
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
6-(3,4-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961223

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide?
The IUPAC name of N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide (CID 151362799) is N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide is C=C(C(=O)N(C)C)c1c(-c2ccccc2)nc2sc(C)nn12.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide?
The InChIKey is OOUXNLRFDCFEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10(15(21)19(3)4)14-13(12-8-6-5-7-9-12)17-16-20(14)18-11(2)22-16/h5-9H,1H2,2-4H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide?
N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide has a molecular weight of 312.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 151362799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).