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

C20H16F3N3O3S — CID 142623994

IUPACN-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-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)F)cc1
InChIInChI=1S/C20H16F3N3O3S/c1-11-17(12-4-6-13(7-5-12)29-20(21,22)23)30-19(24-11)25-18(28)15-8-9-16(27)14-3-2-10-26(14)15/h2-7,10,15H,8-9H2,1H3,(H,24,25,28)
InChIKeyROSIPVSZALZLAM-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.97
Rot. Bonds4

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

N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (PubChem CID 142623994) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
PubChem CID142623994
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC NameN-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-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)F)cc1
InChIInChI=1S/C20H16F3N3O3S/c1-11-17(12-4-6-13(7-5-12)29-20(21,22)23)30-19(24-11)25-18(28)15-8-9-16(27)14-3-2-10-26(14)15/h2-7,10,15H,8-9H2,1H3,(H,24,25,28)
InChIKeyROSIPVSZALZLAM-UHFFFAOYSA-N
XLogP4.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.97
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
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
Benzamide, 4-methoxy-N-[4-phenyl-5-(2-pyridinylcarbonyl)-2-thiazolyl]-
CID 72197342
US11306081, Example 021
CID 137408503
US11306081, Example 084
CID 156361566
US11306081, Example 098
CID 156381280
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
3-(5-phenylfuran-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 16366041

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The IUPAC name of N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (CID 142623994) is N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The canonical SMILES for N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-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)F)cc1.
What is the InChIKey of N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The InChIKey is ROSIPVSZALZLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c1-11-17(12-4-6-13(7-5-12)29-20(21,22)23)30-19(24-11)25-18(28)15-8-9-16(27)14-3-2-10-26(14)15/h2-7,10,15H,8-9H2,1H3,(H,24,25,28).
What are the key properties of N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is sourced from PubChem (CID 142623994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).