N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide

C10H10N4OS — CID 140748325

IUPACN-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnn1)c1cncs1
InChIInChI=1S/C10H10N4OS/c1-7(9-5-11-6-16-9)13-10(15)8-3-2-4-12-14-8/h2-7H,1H3,(H,13,15)/t7-/m1/s1
InChIKeyQWEXRHWTPWSHBV-SSDOTTSWSA-N
MW234.28 g/mol
LogP1.42
Rot. Bonds3

About N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide

N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 140748325) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide
PubChem CID140748325
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC NameN-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnn1)c1cncs1
InChIInChI=1S/C10H10N4OS/c1-7(9-5-11-6-16-9)13-10(15)8-3-2-4-12-14-8/h2-7H,1H3,(H,13,15)/t7-/m1/s1
InChIKeyQWEXRHWTPWSHBV-SSDOTTSWSA-N
XLogP1.42
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide (CID 140748325) is N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide is C[C@@H](NC(=O)c1cccnn1)c1cncs1.
What is the InChIKey of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is QWEXRHWTPWSHBV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-7(9-5-11-6-16-9)13-10(15)8-3-2-4-12-14-8/h2-7H,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide?
N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-thiazol-5-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 140748325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).