2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide

C24H21N3O3S2 — CID 91754798

IUPAC2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cs1
InChIInChI=1S/C24H21N3O3S2/c1-15-27-20(14-31-15)23(28)25-12-19-13-26-24(32-19)29-18-8-10-22-17(11-18)7-9-21(30-22)16-5-3-2-4-6-16/h2-6,8,10-11,13-14,21H,7,9,12H2,1H3,(H,25,28)
InChIKeyPUUURYPFQSMZIY-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.70
Rot. Bonds6

About 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 91754798) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID91754798
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cs1
InChIInChI=1S/C24H21N3O3S2/c1-15-27-20(14-31-15)23(28)25-12-19-13-26-24(32-19)29-18-8-10-22-17(11-18)7-9-21(30-22)16-5-3-2-4-6-16/h2-6,8,10-11,13-14,21H,7,9,12H2,1H3,(H,25,28)
InChIKeyPUUURYPFQSMZIY-UHFFFAOYSA-N
XLogP5.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
CID 71292736
ethyl (2S)-2-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carbonyl]amino]propanoate
CID 71292768
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
CID 71292775
4-[[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methylamino]methyl]-1H-pyridin-2-one
CID 71292777
methyl 2-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carbonyl]amino]acetate
CID 71292781
methyl 2-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carbonyl]amino]acetate
CID 71292783
2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
CID 71292793
[2-(aminomethyl)pyrrolidin-1-yl]-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
CID 71292796
(4-methylpiperazin-1-yl)-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
CID 71292810
(4-methylpiperazin-1-yl)-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone
CID 71292813
2-(2,5-dioxoimidazolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
CID 71292818
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide
CID 71292835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide (CID 91754798) is 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cs1.
What is the InChIKey of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PUUURYPFQSMZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-15-27-20(14-31-15)23(28)25-12-19-13-26-24(32-19)29-18-8-10-22-17(11-18)7-9-21(30-22)16-5-3-2-4-6-16/h2-6,8,10-11,13-14,21H,7,9,12H2,1H3,(H,25,28).
What are the key properties of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91754798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).