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

C17H11ClN4O2S — CID 51033655

IUPAC2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Nc2ccoc2)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C17H11ClN4O2S/c18-10-3-1-2-9(6-10)13-7-12-15(25-13)14(16(19)23)21-22-17(12)20-11-4-5-24-8-11/h1-8H,(H2,19,23)(H,20,22)
InChIKeyFAVKPGHJCNVDHB-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.45
Rot. Bonds4

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

2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 51033655) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID51033655
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Nc2ccoc2)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C17H11ClN4O2S/c18-10-3-1-2-9(6-10)13-7-12-15(25-13)14(16(19)23)21-22-17(12)20-11-4-5-24-8-11/h1-8H,(H2,19,23)(H,20,22)
InChIKeyFAVKPGHJCNVDHB-UHFFFAOYSA-N
XLogP4.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
CID 51034977
2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123271272
2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 67053867
2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123865301
2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034772
2-(4-chlorophenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 67053835
2-(3-chlorophenyl)-N,N-dimethyl-4-(6H-1,3-oxathiin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033772
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
2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
CID 122662388
5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739761
4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 14677472
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (CID 51033655) is 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(Nc2ccoc2)c2cc(-c3cccc(Cl)c3)sc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is FAVKPGHJCNVDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c18-10-3-1-2-9(6-10)13-7-12-15(25-13)14(16(19)23)21-22-17(12)20-11-4-5-24-8-11/h1-8H,(H2,19,23)(H,20,22).
What are the key properties of 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 51033655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).