3-(carbamothioylamino)pyridine-4-carboxamide

C7H8N4OS — CID 163269084

IUPAC3-(carbamothioylamino)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1NC(N)=S
InChIInChI=1S/C7H8N4OS/c8-6(12)4-1-2-10-3-5(4)11-7(9)13/h1-3H,(H2,8,12)(H3,9,11,13)
InChIKeyMXPOUCQKKMOMNF-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.16
Rot. Bonds2

About 3-(carbamothioylamino)pyridine-4-carboxamide

3-(carbamothioylamino)pyridine-4-carboxamide (PubChem CID 163269084) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 3-(carbamothioylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(carbamothioylamino)pyridine-4-carboxamide
PubChem CID163269084
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name3-(carbamothioylamino)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1NC(N)=S
InChIInChI=1S/C7H8N4OS/c8-6(12)4-1-2-10-3-5(4)11-7(9)13/h1-3H,(H2,8,12)(H3,9,11,13)
InChIKeyMXPOUCQKKMOMNF-UHFFFAOYSA-N
XLogP-0.16
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

isoquinolin-5-ylthiourea
CID 1480924
methyl 2-[(4-carbamothioyl-3-pyridinyl)amino]propanoate
CID 114288314
3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
CID 56807069
3-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 146235862
3-bromopyridine-4-carboxamide;hydrochloride
CID 169006653
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-(methylaminosulfanyl)pyridine-4-carboxamide
CID 155744567
3-cyanopyridine-4-carboxamide
CID 68581074
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
CID 114288182
ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate
CID 121302791
3-anilinopyridine-4-carbothioamide
CID 114287995

Frequently Asked Questions

What is the IUPAC name of 3-(carbamothioylamino)pyridine-4-carboxamide?
The IUPAC name of 3-(carbamothioylamino)pyridine-4-carboxamide (CID 163269084) is 3-(carbamothioylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-(carbamothioylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-(carbamothioylamino)pyridine-4-carboxamide is NC(=O)c1ccncc1NC(N)=S.
What is the InChIKey of 3-(carbamothioylamino)pyridine-4-carboxamide?
The InChIKey is MXPOUCQKKMOMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-6(12)4-1-2-10-3-5(4)11-7(9)13/h1-3H,(H2,8,12)(H3,9,11,13).
What are the key properties of 3-(carbamothioylamino)pyridine-4-carboxamide?
3-(carbamothioylamino)pyridine-4-carboxamide has a molecular weight of 196.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamothioylamino)pyridine-4-carboxamide is sourced from PubChem (CID 163269084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).