N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide

C9H13N5O2S — CID 43547737

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide
SMILESCc1n[nH]c(C)c1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H13N5O2S/c1-4-7(5(2)14-13-4)12-9(16)8(15)11-3-6(10)17/h3H2,1-2H3,(H2,10,17)(H,11,15)(H,12,16)(H,13,14)
InChIKeyOXVNSBCYVKKPAG-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.63
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide (PubChem CID 43547737) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide
PubChem CID43547737
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide
SMILESCc1n[nH]c(C)c1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H13N5O2S/c1-4-7(5(2)14-13-4)12-9(16)8(15)11-3-6(10)17/h3H2,1-2H3,(H2,10,17)(H,11,15)(H,12,16)(H,13,14)
InChIKeyOXVNSBCYVKKPAG-UHFFFAOYSA-N
XLogP-0.63
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)oxamide
CID 114388000
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiourea
CID 5270685
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43546603
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
CID 43546964
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1,1-diethylurea
CID 78951288
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
CID 54592690
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914872

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide (CID 43547737) is N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide is Cc1n[nH]c(C)c1NC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide?
The InChIKey is OXVNSBCYVKKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-4-7(5(2)14-13-4)12-9(16)8(15)11-3-6(10)17/h3H2,1-2H3,(H2,10,17)(H,11,15)(H,12,16)(H,13,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide has a molecular weight of 255.30 g/mol, XLogP of -0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(3,5-dimethyl-1H-pyrazol-4-yl)oxamide is sourced from PubChem (CID 43547737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).