4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide

C10H13IN4OS2 — CID 1224899

IUPAC4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NC(=S)N2CCSCC2)n1
InChIInChI=1S/C10H13IN4OS2/c1-14-6-7(11)8(13-14)9(16)12-10(17)15-2-4-18-5-3-15/h6H,2-5H2,1H3,(H,12,16,17)
InChIKeyLNZKESDULVIVON-UHFFFAOYSA-N
MW396.28 g/mol
LogP1.09
Rot. Bonds1

About 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide

4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide (PubChem CID 1224899) has the molecular formula C10H13IN4OS2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
PubChem CID1224899
Molecular FormulaC10H13IN4OS2
Molecular Weight396.28 g/mol
Exact Mass395.96
IUPAC Name4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NC(=S)N2CCSCC2)n1
InChIInChI=1S/C10H13IN4OS2/c1-14-6-7(11)8(13-14)9(16)12-10(17)15-2-4-18-5-3-15/h6H,2-5H2,1H3,(H,12,16,17)
InChIKeyLNZKESDULVIVON-UHFFFAOYSA-N
XLogP1.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
CID 936618
1-methyl-N-[(4-methyl-1-piperazinyl)carbonothioyl]-1H-pyrazole-3-carboxamide
CID 2864393
4-chloro-1-methyl-N-(thiomorpholin-4-ylcarbonothioyl)-1H-pyrazole-3-carboxamide
CID 716962
4-chloro-1-methyl-N-(4-methylpiperazine-1-carbothioyl)pyrazole-3-carboxamide
CID 1224900
4-iodo-1-methyl-N-[(4-methylpiperazin-1-yl)carbonothioyl]-1H-pyrazole-3-carboxamide
CID 1224901
4-iodo-1-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)pyrazole-3-carboxamide
CID 7241455
1-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)pyrazole-3-carboxamide
CID 7460085
4-iodo-1-methyl-N-(4-methylpiperazine-1-carbothioyl)pyrazole-5-carboxamide
CID 19617289
4-chloro-1-methyl-N-(thiomorpholin-4-ylcarbonothioyl)-1H-pyrazole-5-carboxamide
CID 19617440
2-methyl-N-(4-methylpiperazine-1-carbothioyl)pyrazole-3-carboxamide
CID 23908967
2-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
CID 24105408

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide (CID 1224899) is 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide is Cn1cc(I)c(C(=O)NC(=S)N2CCSCC2)n1.
What is the InChIKey of 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
The InChIKey is LNZKESDULVIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4OS2/c1-14-6-7(11)8(13-14)9(16)12-10(17)15-2-4-18-5-3-15/h6H,2-5H2,1H3,(H,12,16,17).
What are the key properties of 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide has a molecular weight of 396.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide is sourced from PubChem (CID 1224899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).