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

C11H14N4OS — CID 62924859

IUPAC2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide
SMILESNC(=S)c1cc(NCC(=O)NC2CC2)ccn1
InChIInChI=1S/C11H14N4OS/c12-11(17)9-5-8(3-4-13-9)14-6-10(16)15-7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyWWGNRTVIRVAAMY-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.41
Rot. Bonds5

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

2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide (PubChem CID 62924859) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide
PubChem CID62924859
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide
SMILESNC(=S)c1cc(NCC(=O)NC2CC2)ccn1
InChIInChI=1S/C11H14N4OS/c12-11(17)9-5-8(3-4-13-9)14-6-10(16)15-7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyWWGNRTVIRVAAMY-UHFFFAOYSA-N
XLogP0.41
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.41
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

N-[2-(cyclopropylamino)-2-oxoethyl]-4-hydrazinylpyridine-2-carboxamide
CID 62243783
ethyl 2-[(2-carbamothioyl-4-pyridinyl)amino]acetate
CID 62925037
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113410632
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
2-(2-bromo-4-carbamothioylanilino)-N-cyclopropylacetamide
CID 82804920
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide (CID 62924859) is 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide is NC(=S)c1cc(NCC(=O)NC2CC2)ccn1.
What is the InChIKey of 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide?
The InChIKey is WWGNRTVIRVAAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-11(17)9-5-8(3-4-13-9)14-6-10(16)15-7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide?
2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide has a molecular weight of 250.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 62924859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).