1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea

C12H12N4OS2 — CID 89443048

IUPAC1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESNN(C(=O)c1ccccn1)C(=S)NCc1cccs1
InChIInChI=1S/C12H12N4OS2/c13-16(11(17)10-5-1-2-6-14-10)12(18)15-8-9-4-3-7-19-9/h1-7H,8,13H2,(H,15,18)
InChIKeyFXGRXTFGWMEFRD-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.53
Rot. Bonds3

About 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea

1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea (PubChem CID 89443048) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea
PubChem CID89443048
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESNN(C(=O)c1ccccn1)C(=S)NCc1cccs1
InChIInChI=1S/C12H12N4OS2/c13-16(11(17)10-5-1-2-6-14-10)12(18)15-8-9-4-3-7-19-9/h1-7H,8,13H2,(H,15,18)
InChIKeyFXGRXTFGWMEFRD-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea
CID 154695763
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42691375
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17455908
N-methylpyridine-2-carbohydrazide
CID 45084309
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea (CID 89443048) is 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea is NN(C(=O)c1ccccn1)C(=S)NCc1cccs1.
What is the InChIKey of 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea?
The InChIKey is FXGRXTFGWMEFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c13-16(11(17)10-5-1-2-6-14-10)12(18)15-8-9-4-3-7-19-9/h1-7H,8,13H2,(H,15,18).
What are the key properties of 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea?
1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea has a molecular weight of 292.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 89443048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).