5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide

C12H11N5OS2 — CID 80519272

IUPAC5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NCCc2cscn2)sc2nnccc12
InChIInChI=1S/C12H11N5OS2/c13-9-8-2-4-16-17-12(8)20-10(9)11(18)14-3-1-7-5-19-6-15-7/h2,4-6H,1,3,13H2,(H,14,18)
InChIKeySYEQGWJDVYVCOP-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.70
Rot. Bonds4

About 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519272) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80519272
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC Name5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NCCc2cscn2)sc2nnccc12
InChIInChI=1S/C12H11N5OS2/c13-9-8-2-4-16-17-12(8)20-10(9)11(18)14-3-1-7-5-19-6-15-7/h2,4-6H,1,3,13H2,(H,14,18)
InChIKeySYEQGWJDVYVCOP-UHFFFAOYSA-N
XLogP1.70
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80690837
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519173
5-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 106311385
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
5-amino-N-(cyclohex-3-en-1-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519091

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 80519272) is 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)NCCc2cscn2)sc2nnccc12.
What is the InChIKey of 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is SYEQGWJDVYVCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c13-9-8-2-4-16-17-12(8)20-10(9)11(18)14-3-1-7-5-19-6-15-7/h2,4-6H,1,3,13H2,(H,14,18).
What are the key properties of 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 305.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(1,3-thiazol-4-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).