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

C24H22N4O3S — CID 91754807

IUPAC2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H22N4O3S/c1-28-20(11-12-27-28)23(29)25-14-19-15-26-24(32-19)30-18-8-10-22-17(13-18)7-9-21(31-22)16-5-3-2-4-6-16/h2-6,8,10-13,15,21H,7,9,14H2,1H3,(H,25,29)
InChIKeyIWPMZJDSFIYDMV-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.67
Rot. Bonds6

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

2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazole-3-carboxamide (PubChem CID 91754807) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 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]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazole-3-carboxamide
PubChem CID91754807
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H22N4O3S/c1-28-20(11-12-27-28)23(29)25-14-19-15-26-24(32-19)30-18-8-10-22-17(13-18)7-9-21(31-22)16-5-3-2-4-6-16/h2-6,8,10-13,15,21H,7,9,14H2,1H3,(H,25,29)
InChIKeyIWPMZJDSFIYDMV-UHFFFAOYSA-N
XLogP4.67
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]pyrazole-3-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]pyrazole-3-carboxamide (CID 91754807) is 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazole-3-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]pyrazole-3-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]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
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]pyrazole-3-carboxamide?
The InChIKey is IWPMZJDSFIYDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-28-20(11-12-27-28)23(29)25-14-19-15-26-24(32-19)30-18-8-10-22-17(13-18)7-9-21(31-22)16-5-3-2-4-6-16/h2-6,8,10-13,15,21H,7,9,14H2,1H3,(H,25,29).
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]pyrazole-3-carboxamide?
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.67, 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]pyrazole-3-carboxamide is sourced from PubChem (CID 91754807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).