5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide

C11H10ClN3O3S — CID 845133

IUPAC5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(Cl)s2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H10ClN3O3S/c1-14-8(5-9(16)15(2)11(14)18)13-10(17)6-3-4-7(12)19-6/h3-5H,1-2H3,(H,13,17)
InChIKeyRWFXYNOOTMRQAQ-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.05
Rot. Bonds2

About 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide

5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide (PubChem CID 845133) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
PubChem CID845133
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(Cl)s2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H10ClN3O3S/c1-14-8(5-9(16)15(2)11(14)18)13-10(17)6-3-4-7(12)19-6/h3-5H,1-2H3,(H,13,17)
InChIKeyRWFXYNOOTMRQAQ-UHFFFAOYSA-N
XLogP1.05
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
CID 903488
5-chloro-N-methylthiophene-2-carboxamide
CID 13411287
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
5-chloro-N-ethylthiophene-2-carboxamide
CID 667834
1-[2-(5-Chlorothiophen-2-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
CID 301254
N,N'-Bis((5-chloro-2-thienyl)carbonyl)-N,N'-dimethylthiourea
CID 379466
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide
CID 75447043
4-((5-chlorothiophene-2-carboxamido)methyl)-N,N-dimethylpiperidine-1-carboxamide
CID 119103250
4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323400
4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323579
1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1H-pyridin-3-yl)methyl]pyrimidine-2,4-dione
CID 176468815

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide (CID 845133) is 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide is Cn1c(NC(=O)c2ccc(Cl)s2)cc(=O)n(C)c1=O.
What is the InChIKey of 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide?
The InChIKey is RWFXYNOOTMRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-14-8(5-9(16)15(2)11(14)18)13-10(17)6-3-4-7(12)19-6/h3-5H,1-2H3,(H,13,17).
What are the key properties of 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide?
5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide has a molecular weight of 299.74 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 845133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).