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

C24H22N4O3S — CID 91754742

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H22N4O3S/c1-28-18(11-12-27-28)14-25-23(29)22-15-26-24(32-22)30-19-8-10-21-17(13-19)7-9-20(31-21)16-5-3-2-4-6-16/h2-6,8,10-13,15,20H,7,9,14H2,1H3,(H,25,29)
InChIKeyMZICQWSWZFRBTD-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.67
Rot. Bonds6

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

N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 91754742) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID91754742
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H22N4O3S/c1-28-18(11-12-27-28)14-25-23(29)22-15-26-24(32-22)30-19-8-10-21-17(13-19)7-9-20(31-21)16-5-3-2-4-6-16/h2-6,8,10-13,15,20H,7,9,14H2,1H3,(H,25,29)
InChIKeyMZICQWSWZFRBTD-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 N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (CID 91754742) is N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is Cn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is MZICQWSWZFRBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-28-18(11-12-27-28)14-25-23(29)22-15-26-24(32-22)30-19-8-10-21-17(13-19)7-9-20(31-21)16-5-3-2-4-6-16/h2-6,8,10-13,15,20H,7,9,14H2,1H3,(H,25,29).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-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 N-[(2-methylpyrazol-3-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).