2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide

C18H13ClN4O2S — CID 51034977

IUPAC2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccoc2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C18H13ClN4O2S/c1-20-18(24)15-16-13(17(23-22-15)21-12-6-7-25-9-12)8-14(26-16)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,20,24)(H,21,23)
InChIKeyIAUHLWRNFIFMTA-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.71
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide

2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 51034977) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
PubChem CID51034977
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccoc2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C18H13ClN4O2S/c1-20-18(24)15-16-13(17(23-22-15)21-12-6-7-25-9-12)8-14(26-16)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,20,24)(H,21,23)
InChIKeyIAUHLWRNFIFMTA-UHFFFAOYSA-N
XLogP4.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034772
2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033655
4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053417
2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103194
2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123271272
2-(4-chlorophenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 67053835
4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 159036352
2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053442
2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 67053867
tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)
CID 157054843
azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate
CID 161097172
2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123865301

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide (CID 51034977) is 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(Nc2ccoc2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is IAUHLWRNFIFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c1-20-18(24)15-16-13(17(23-22-15)21-12-6-7-25-9-12)8-14(26-16)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide?
2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 51034977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).