N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide

C16H17N5O2S — CID 75118982

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)NN1
InChIInChI=1S/C16H17N5O2S/c22-14-6-5-12(19-20-14)15(23)17-11-3-1-10(2-4-11)13-9-21-7-8-24-16(21)18-13/h1-4,9,12,19H,5-8H2,(H,17,23)(H,20,22)
InChIKeyOBBWRNFFZVTJHD-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.38
Rot. Bonds3

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide (PubChem CID 75118982) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide
PubChem CID75118982
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)NN1
InChIInChI=1S/C16H17N5O2S/c22-14-6-5-12(19-20-14)15(23)17-11-3-1-10(2-4-11)13-9-21-7-8-24-16(21)18-13/h1-4,9,12,19H,5-8H2,(H,17,23)(H,20,22)
InChIKeyOBBWRNFFZVTJHD-UHFFFAOYSA-N
XLogP1.38
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 18562205
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 71962264
6-oxo-N-phenyldiazinane-3-carboxamide
CID 78211041
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
N-(4-morpholin-4-ylphenyl)-6-oxodiazinane-3-carboxamide
CID 73251784
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,5-dinitrobenzamide
CID 41427391
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071713
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027805
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052571
6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 158709331
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121031180

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide (CID 75118982) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)NN1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide?
The InChIKey is OBBWRNFFZVTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-14-6-5-12(19-20-14)15(23)17-11-3-1-10(2-4-11)13-9-21-7-8-24-16(21)18-13/h1-4,9,12,19H,5-8H2,(H,17,23)(H,20,22).
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide is sourced from PubChem (CID 75118982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).