2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide

C8H7N5OS — CID 116786705

IUPAC2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cccnn2)cs1
InChIInChI=1S/C8H7N5OS/c9-8-11-5(4-15-8)7(14)12-6-2-1-3-10-13-6/h1-4H,(H2,9,11)(H,12,13,14)
InChIKeyIKIGITKYEXPTMR-UHFFFAOYSA-N
MW221.25 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide

2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 116786705) has the molecular formula C8H7N5OS and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID116786705
Molecular FormulaC8H7N5OS
Molecular Weight221.25 g/mol
Exact Mass221.04
IUPAC Name2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cccnn2)cs1
InChIInChI=1S/C8H7N5OS/c9-8-11-5(4-15-8)7(14)12-6-2-1-3-10-13-6/h1-4H,(H2,9,11)(H,12,13,14)
InChIKeyIKIGITKYEXPTMR-UHFFFAOYSA-N
XLogP0.77
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(thiadiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 164656956
2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 62789087
2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103094302
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
pyridazin-3-ylurea
CID 13080987
2-amino-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 63823171
2-amino-N-quinolin-5-yl-1,3-thiazole-4-carboxamide
CID 55115964
2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide
CID 141488082
2-amino-6-chloro-N-pyridazin-3-ylbenzamide
CID 116785965
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870
4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide
CID 116786028
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide (CID 116786705) is 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2cccnn2)cs1.
What is the InChIKey of 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IKIGITKYEXPTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5OS/c9-8-11-5(4-15-8)7(14)12-6-2-1-3-10-13-6/h1-4H,(H2,9,11)(H,12,13,14).
What are the key properties of 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide?
2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 221.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 116786705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).