2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide

C11H15N5OS — CID 80511338

IUPAC2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1nnccc1C(N)=S
InChIInChI=1S/C11H15N5OS/c1-16(6-9(17)14-7-2-3-7)11-8(10(12)18)4-5-13-15-11/h4-5,7H,2-3,6H2,1H3,(H2,12,18)(H,14,17)
InChIKeyVZLSERVAZWKYDQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP-0.17
Rot. Bonds5

About 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide

2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 80511338) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID80511338
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1nnccc1C(N)=S
InChIInChI=1S/C11H15N5OS/c1-16(6-9(17)14-7-2-3-7)11-8(10(12)18)4-5-13-15-11/h4-5,7H,2-3,6H2,1H3,(H2,12,18)(H,14,17)
InChIKeyVZLSERVAZWKYDQ-UHFFFAOYSA-N
XLogP-0.17
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-methylacetamide
CID 80511917
3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide
CID 80511976
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075
3-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridazine-4-carbothioamide
CID 80511296
2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114194996
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
CID 80511920
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80983230
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide (CID 80511338) is 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)c1nnccc1C(N)=S.
What is the InChIKey of 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is VZLSERVAZWKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16(6-9(17)14-7-2-3-7)11-8(10(12)18)4-5-13-15-11/h4-5,7H,2-3,6H2,1H3,(H2,12,18)(H,14,17).
What are the key properties of 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide?
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 265.34 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 80511338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).