1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

C15H12ClN5O3S — CID 135880342

IUPAC1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1nnc(N=Cc2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)s1
InChIInChI=1S/C15H12ClN5O3S/c1-2-11-19-20-14(25-11)17-7-10-12(22)18-15(24)21(13(10)23)9-5-3-8(16)4-6-9/h3-7,23H,2H2,1H3,(H,18,22,24)
InChIKeyFYYOGKFHJWRYBZ-UHFFFAOYSA-N
MW377.81 g/mol
LogP2.05
Rot. Bonds4

About 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 135880342) has the molecular formula C15H12ClN5O3S and a molecular weight of 377.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID135880342
Molecular FormulaC15H12ClN5O3S
Molecular Weight377.81 g/mol
Exact Mass377.03
IUPAC Name1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1nnc(N=Cc2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)s1
InChIInChI=1S/C15H12ClN5O3S/c1-2-11-19-20-14(25-11)17-7-10-12(22)18-15(24)21(13(10)23)9-5-3-8(16)4-6-9/h3-7,23H,2H2,1H3,(H,18,22,24)
InChIKeyFYYOGKFHJWRYBZ-UHFFFAOYSA-N
XLogP2.05
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-[(E)-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 135467606
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
CID 135607948
1-(4-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844616
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
1-(3-chlorophenyl)-6-hydroxy-5-[(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyrimidine-2,4-dione
CID 3119701
1-(3-chlorophenyl)-6-hydroxy-5-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyrimidine-2,4-dione
CID 135635214
1-(4-ethoxyphenyl)-6-hydroxy-5-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrimidine-2,4-dione
CID 137070403
1-(4-chlorophenyl)-5-[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 3736130
2-(5-chloro-2-pyridinyl)-4-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-3-hydroxyisoquinolin-1-one
CID 3926695
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
CID 135628532
2-(4-ethoxyphenyl)-4-[(E)-(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-3-hydroxyisoquinolin-1-one
CID 135854631

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 135880342) is 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is CCc1nnc(N=Cc2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)s1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is FYYOGKFHJWRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3S/c1-2-11-19-20-14(25-11)17-7-10-12(22)18-15(24)21(13(10)23)9-5-3-8(16)4-6-9/h3-7,23H,2H2,1H3,(H,18,22,24).
What are the key properties of 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 377.81 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135880342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).