2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide

C10H14N4OS — CID 61467404

IUPAC2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(C(N)=S)ccn1
InChIInChI=1S/C10H14N4OS/c1-6(10(15)12-2)14-8-5-7(9(11)16)3-4-13-8/h3-6H,1-2H3,(H2,11,16)(H,12,15)(H,13,14)
InChIKeyQHLKGIUVCAUFCG-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.26
Rot. Bonds4

About 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide

2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide (PubChem CID 61467404) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide
PubChem CID61467404
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(C(N)=S)ccn1
InChIInChI=1S/C10H14N4OS/c1-6(10(15)12-2)14-8-5-7(9(11)16)3-4-13-8/h3-6H,1-2H3,(H2,11,16)(H,12,15)(H,13,14)
InChIKeyQHLKGIUVCAUFCG-UHFFFAOYSA-N
XLogP0.26
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylanilino)-N-methylpropanamide
CID 61467405
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
CID 82939380
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552
N-methyl-2-(pyrazin-2-ylamino)propanamide
CID 61064033
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
CID 43617135
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-methylpropanamide
CID 80512272
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
2-(methylamino)pyridine-4-carboxamide
CID 45084294
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide (CID 61467404) is 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide?
The InChIKey is QHLKGIUVCAUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(10(15)12-2)14-8-5-7(9(11)16)3-4-13-8/h3-6H,1-2H3,(H2,11,16)(H,12,15)(H,13,14).
What are the key properties of 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide?
2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide has a molecular weight of 238.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide is sourced from PubChem (CID 61467404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).