1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide

C12H15N5O2S2 — CID 2456827

IUPAC1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(SC)ns2)ccc1=O
InChIInChI=1S/C12H15N5O2S2/c1-3-4-7-17-9(18)6-5-8(15-17)10(19)13-11-14-12(20-2)16-21-11/h5-6H,3-4,7H2,1-2H3,(H,13,14,16,19)
InChIKeyBRGOWNUFCQZEFO-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.87
Rot. Bonds6

About 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 2456827) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID2456827
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(SC)ns2)ccc1=O
InChIInChI=1S/C12H15N5O2S2/c1-3-4-7-17-9(18)6-5-8(15-17)10(19)13-11-14-12(20-2)16-21-11/h5-6H,3-4,7H2,1-2H3,(H,13,14,16,19)
InChIKeyBRGOWNUFCQZEFO-UHFFFAOYSA-N
XLogP1.87
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081137
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
1-butyl-6-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35565819
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 30730918

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 2456827) is 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2nc(SC)ns2)ccc1=O.
What is the InChIKey of 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BRGOWNUFCQZEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-3-4-7-17-9(18)6-5-8(15-17)10(19)13-11-14-12(20-2)16-21-11/h5-6H,3-4,7H2,1-2H3,(H,13,14,16,19).
What are the key properties of 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2456827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).