3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide

C12H18N4OS — CID 113410632

IUPAC3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C12H18N4OS/c1-8(2)16-11(17)4-6-14-9-3-5-15-10(7-9)12(13)18/h3,5,7-8H,4,6H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyMZWGMFIERTZICA-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.04
Rot. Bonds6

About 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide

3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113410632) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
PubChem CID113410632
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C12H18N4OS/c1-8(2)16-11(17)4-6-14-9-3-5-15-10(7-9)12(13)18/h3,5,7-8H,4,6H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyMZWGMFIERTZICA-UHFFFAOYSA-N
XLogP1.04
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.04
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

ethyl 3-[(2-carbamothioyl-4-pyridinyl)amino]propanoate
CID 62926106
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
3-[(5-carbamothioylpyrazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113410633
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
4-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136901
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 62236139
ethyl 2-[(2-carbamothioyl-4-pyridinyl)amino]acetate
CID 62925037
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
4-(5-methoxypentylamino)pyridine-2-carbothioamide
CID 114130390
2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 62924859

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide (CID 113410632) is 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1ccnc(C(N)=S)c1.
What is the InChIKey of 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is MZWGMFIERTZICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8(2)16-11(17)4-6-14-9-3-5-15-10(7-9)12(13)18/h3,5,7-8H,4,6H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17).
What are the key properties of 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide?
3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113410632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).