N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide

C25H20N2O3S — CID 58032966

IUPACN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1Cc1cnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1
InChIInChI=1S/C25H20N2O3S/c1-29-20-11-5-2-8-16(20)14-17-15-26-25(31-17)27-24(28)23-18-9-3-6-12-21(18)30-22-13-7-4-10-19(22)23/h2-13,15,23H,14H2,1H3,(H,26,27,28)
InChIKeyAOUNWHSAKVMJLW-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.62
Rot. Bonds5

About N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide

N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide (PubChem CID 58032966) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
PubChem CID58032966
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
SMILESCOc1ccccc1Cc1cnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1
InChIInChI=1S/C25H20N2O3S/c1-29-20-11-5-2-8-16(20)14-17-15-26-25(31-17)27-24(28)23-18-9-3-6-12-21(18)30-22-13-7-4-10-19(22)23/h2-13,15,23H,14H2,1H3,(H,26,27,28)
InChIKeyAOUNWHSAKVMJLW-UHFFFAOYSA-N
XLogP5.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide
CID 58033028
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 11581668
1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 11683549
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-(1,3-benzodioxol-5-yl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 140500368
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 17033979
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide (CID 58032966) is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide is COc1ccccc1Cc1cnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
The InChIKey is AOUNWHSAKVMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S/c1-29-20-11-5-2-8-16(20)14-17-15-26-25(31-17)27-24(28)23-18-9-3-6-12-21(18)30-22-13-7-4-10-19(22)23/h2-13,15,23H,14H2,1H3,(H,26,27,28).
What are the key properties of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide?
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 58032966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).