2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

C11H18N4OS — CID 82874011

IUPAC2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCc1ccn(C)n1)C(N)=S
InChIInChI=1S/C11H18N4OS/c1-4-11(2,9(12)17)10(16)13-7-8-5-6-15(3)14-8/h5-6H,4,7H2,1-3H3,(H2,12,17)(H,13,16)
InChIKeyJLTFBKRYXNSSMV-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.74
Rot. Bonds5

About 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 82874011) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
PubChem CID82874011
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCc1ccn(C)n1)C(N)=S
InChIInChI=1S/C11H18N4OS/c1-4-11(2,9(12)17)10(16)13-7-8-5-6-15(3)14-8/h5-6H,4,7H2,1-3H3,(H2,12,17)(H,13,16)
InChIKeyJLTFBKRYXNSSMV-UHFFFAOYSA-N
XLogP0.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide 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

2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
1-ethyl-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571839
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide
CID 82881591
2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381468
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 82875126
6-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridazine-3-carboxamide
CID 82875427
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-carbamothioyl-2-methyl-N-pyridin-4-ylbutanamide
CID 114291848

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (CID 82874011) is 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is CCC(C)(C(=O)NCc1ccn(C)n1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is JLTFBKRYXNSSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-4-11(2,9(12)17)10(16)13-7-8-5-6-15(3)14-8/h5-6H,4,7H2,1-3H3,(H2,12,17)(H,13,16).
What are the key properties of 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 254.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 82874011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).