3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide

C18H16N6O4S — CID 90571100

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCn2ccc(=O)[nH]c2=O)n(-c2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C18H16N6O4S/c1-11-9-14(20-15(25)4-6-23-7-5-16(26)21-17(23)27)24(22-11)18-19-12(10-29-18)13-3-2-8-28-13/h2-3,5,7-10H,4,6H2,1H3,(H,20,25)(H,21,26,27)
InChIKeyRRQDOCOMVOEBBH-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.78
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 90571100) has the molecular formula C18H16N6O4S and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide
PubChem CID90571100
Molecular FormulaC18H16N6O4S
Molecular Weight412.43 g/mol
Exact Mass412.10
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCn2ccc(=O)[nH]c2=O)n(-c2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C18H16N6O4S/c1-11-9-14(20-15(25)4-6-23-7-5-16(26)21-17(23)27)24(22-11)18-19-12(10-29-18)13-3-2-8-28-13/h2-3,5,7-10H,4,6H2,1H3,(H,20,25)(H,21,26,27)
InChIKeyRRQDOCOMVOEBBH-UHFFFAOYSA-N
XLogP1.78
TPSA127.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-prop-2-enylurea
CID 90571218
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 90571121
3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 90571163
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90571131
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90571069
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90571164
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571226
methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate
CID 90571288
3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571289
2,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 90571280
2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide
CID 90571252

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide (CID 90571100) is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCn2ccc(=O)[nH]c2=O)n(-c2nc(-c3ccco3)cs2)n1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is RRQDOCOMVOEBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4S/c1-11-9-14(20-15(25)4-6-23-7-5-16(26)21-17(23)27)24(22-11)18-19-12(10-29-18)13-3-2-8-28-13/h2-3,5,7-10H,4,6H2,1H3,(H,20,25)(H,21,26,27).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 412.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 90571100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).