1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide

C14H19N5O3S — CID 24647725

IUPAC1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2nnc(CC(C)C)s2)ccc1=O
InChIInChI=1S/C14H19N5O3S/c1-9(2)8-11-16-17-14(23-11)15-13(21)10-4-5-12(20)19(18-10)6-7-22-3/h4-5,9H,6-8H2,1-3H3,(H,15,17,21)
InChIKeyNFGVGZWMCSECJI-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.19
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 24647725) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
PubChem CID24647725
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2nnc(CC(C)C)s2)ccc1=O
InChIInChI=1S/C14H19N5O3S/c1-9(2)8-11-16-17-14(23-11)15-13(21)10-4-5-12(20)19(18-10)6-7-22-3/h4-5,9H,6-8H2,1-3H3,(H,15,17,21)
InChIKeyNFGVGZWMCSECJI-UHFFFAOYSA-N
XLogP1.19
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.19
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
6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 30730918
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
2-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxoisoquinoline-4-carboxamide
CID 56762472
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 61247357
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
1-(2-methoxyethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 47012490
5-carbamothioyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 106261329

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide (CID 24647725) is 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2nnc(CC(C)C)s2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is NFGVGZWMCSECJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9(2)8-11-16-17-14(23-11)15-13(21)10-4-5-12(20)19(18-10)6-7-22-3/h4-5,9H,6-8H2,1-3H3,(H,15,17,21).
What are the key properties of 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24647725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).