N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H14N4O2S — CID 110742638

IUPACN-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2nccs2)C2CC2)=NN1
InChIInChI=1S/C12H14N4O2S/c17-10-4-3-9(14-15-10)12(18)16(8-1-2-8)7-11-13-5-6-19-11/h5-6,8H,1-4,7H2,(H,15,17)
InChIKeyWXVNMHMYDJAELH-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.90
Rot. Bonds4

About N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110742638) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110742638
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2nccs2)C2CC2)=NN1
InChIInChI=1S/C12H14N4O2S/c17-10-4-3-9(14-15-10)12(18)16(8-1-2-8)7-11-13-5-6-19-11/h5-6,8H,1-4,7H2,(H,15,17)
InChIKeyWXVNMHMYDJAELH-UHFFFAOYSA-N
XLogP0.90
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{3-oxo-3-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]propyl}-4,5-dihydro-3(2H)-pyridazinone
CID 45249577
3-[3-oxo-3-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 29181912
3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 29181914
3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 43403018
6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60972025
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 62201981
6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63613416
6-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 64485231
2-Ethyl-6-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 72134059
2-ethyl-6-[(2R)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95770115
2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95770116
N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 95969216

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110742638) is N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)N(Cc2nccs2)C2CC2)=NN1.
What is the InChIKey of N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is WXVNMHMYDJAELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-10-4-3-9(14-15-10)12(18)16(8-1-2-8)7-11-13-5-6-19-11/h5-6,8H,1-4,7H2,(H,15,17).
What are the key properties of N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110742638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).