3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C24H18N4O4S — CID 121025763

IUPAC3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4c[nH]c(=O)n(Cc5ccco5)c4=O)cc3)sc2c1
InChIInChI=1S/C24H18N4O4S/c1-14-4-9-19-20(11-14)33-22(27-19)15-5-7-16(8-6-15)26-21(29)18-12-25-24(31)28(23(18)30)13-17-3-2-10-32-17/h2-12H,13H2,1H3,(H,25,31)(H,26,29)
InChIKeyHIPNUUXNYATETH-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.02
Rot. Bonds5

About 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025763) has the molecular formula C24H18N4O4S and a molecular weight of 458.50 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025763
Molecular FormulaC24H18N4O4S
Molecular Weight458.50 g/mol
Exact Mass458.10
IUPAC Name3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4c[nH]c(=O)n(Cc5ccco5)c4=O)cc3)sc2c1
InChIInChI=1S/C24H18N4O4S/c1-14-4-9-19-20(11-14)33-22(27-19)15-5-7-16(8-6-15)26-21(29)18-12-25-24(31)28(23(18)30)13-17-3-2-10-32-17/h2-12H,13H2,1H3,(H,25,31)(H,26,29)
InChIKeyHIPNUUXNYATETH-UHFFFAOYSA-N
XLogP4.02
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025493
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100049
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026488
5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 733388
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
1-ethyl-4-hydroxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoquinoline-3-carboxamide
CID 54680308
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 60541926
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954337
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025763) is 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4c[nH]c(=O)n(Cc5ccco5)c4=O)cc3)sc2c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HIPNUUXNYATETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4S/c1-14-4-9-19-20(11-14)33-22(27-19)15-5-7-16(8-6-15)26-21(29)18-12-25-24(31)28(23(18)30)13-17-3-2-10-32-17/h2-12H,13H2,1H3,(H,25,31)(H,26,29).
What are the key properties of 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).