N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide

C22H15F2N5O2S2 — CID 175932683

IUPACN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3C=CS(=O)C=C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1
InChIInChI=1S/C22H15F2N5O2S2/c1-13-9-16(11-17(26-13)20(23)24)19-18(15-4-2-3-14(10-15)12-25)27-21(32-19)28-22(30)29-5-7-33(31)8-6-29/h2-11,20H,1H3,(H,27,28,30)
InChIKeyUAVWAFFQCRWBSY-UHFFFAOYSA-N
MW483.53 g/mol
LogP5.53
Rot. Bonds4

About N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide

N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide (PubChem CID 175932683) has the molecular formula C22H15F2N5O2S2 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide
PubChem CID175932683
Molecular FormulaC22H15F2N5O2S2
Molecular Weight483.53 g/mol
Exact Mass483.06
IUPAC NameN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3C=CS(=O)C=C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1
InChIInChI=1S/C22H15F2N5O2S2/c1-13-9-16(11-17(26-13)20(23)24)19-18(15-4-2-3-14(10-15)12-25)27-21(32-19)28-22(30)29-5-7-33(31)8-6-29/h2-11,20H,1H3,(H,27,28,30)
InChIKeyUAVWAFFQCRWBSY-UHFFFAOYSA-N
XLogP5.53
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 166959522
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazine-4-carboxamide
CID 175453778
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1-imino-1-oxo-1,4-thiazine-4-carboxamide
CID 175453758
(4aS,7aS)-N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carboxamide
CID 162688142
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 162688237
N-[4-(3-cyanophenyl)-5-(2-methoxy-6-methyl-4-pyridinyl)-1,3-thiazol-2-yl]-1-imino-1-oxo-1,4-thiazine-4-carboxamide
CID 175453765
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3,5-dimethylpiperazine-1-carboxamide
CID 166959531
(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide
CID 169002941
(3aS,6aR)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 162688125
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 169060197
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-sulfamoylpiperazine-1-carboxamide
CID 162688189
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,4-diazabicyclo[3.2.1]octane-4-carboxamide
CID 162688234

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide (CID 175932683) is N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide is Cc1cc(-c2sc(NC(=O)N3C=CS(=O)C=C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1.
What is the InChIKey of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide?
The InChIKey is UAVWAFFQCRWBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O2S2/c1-13-9-16(11-17(26-13)20(23)24)19-18(15-4-2-3-14(10-15)12-25)27-21(32-19)28-22(30)29-5-7-33(31)8-6-29/h2-11,20H,1H3,(H,27,28,30).
What are the key properties of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide?
N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-1-oxo-1,4-thiazine-4-carboxamide is sourced from PubChem (CID 175932683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).