N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

C20H17F2N3O3S — CID 139330585

IUPACN-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCc1nc(NC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H17F2N3O3S/c1-11-17(12-4-6-13(7-5-12)28-19(21)22)29-20(23-11)24-18(27)15-8-9-16(26)14-3-2-10-25(14)15/h2-7,10,15,19H,8-9H2,1H3,(H,23,24,27)
InChIKeyRIUMXJCJTMUOIM-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.68
Rot. Bonds5

About N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (PubChem CID 139330585) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
PubChem CID139330585
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCc1nc(NC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H17F2N3O3S/c1-11-17(12-4-6-13(7-5-12)28-19(21)22)29-20(23-11)24-18(27)15-8-9-16(26)14-3-2-10-25(14)15/h2-7,10,15,19H,8-9H2,1H3,(H,23,24,27)
InChIKeyRIUMXJCJTMUOIM-UHFFFAOYSA-N
XLogP4.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901592
2-(4-methoxyphenyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 2161245
N-{4-[2-Ethyl-4-(4-methoxy-phenyl)-thiazol-5-yl]-pyridin-2-yl}-benzamide
CID 11618535
Benzamide, 4-methoxy-N-[4-phenyl-5-(2-pyridinylcarbonyl)-2-thiazolyl]-
CID 72197342
4-Isopropoxy-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 2660552
US11306081, Example 084
CID 156361566
2-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660433
N-[4-(2-pyridyl)thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 8123906
(3-fluoro-4-methoxyphenyl)(1-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-3-piperidinyl)methanone
CID 16189891

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (CID 139330585) is N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.
What is the SMILES notation for N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The canonical SMILES for N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is Cc1nc(NC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The InChIKey is RIUMXJCJTMUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c1-11-17(12-4-6-13(7-5-12)28-19(21)22)29-20(23-11)24-18(27)15-8-9-16(26)14-3-2-10-25(14)15/h2-7,10,15,19H,8-9H2,1H3,(H,23,24,27).
What are the key properties of N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is sourced from PubChem (CID 139330585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).