2-(carbamothioylamino)pyridine-4-carboxamide

C7H8N4OS — CID 175468942

IUPAC2-(carbamothioylamino)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(NC(N)=S)c1
InChIInChI=1S/C7H8N4OS/c8-6(12)4-1-2-10-5(3-4)11-7(9)13/h1-3H,(H2,8,12)(H3,9,10,11,13)
InChIKeyOWSAKVSCRDJKRU-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.16
Rot. Bonds2

About 2-(carbamothioylamino)pyridine-4-carboxamide

2-(carbamothioylamino)pyridine-4-carboxamide (PubChem CID 175468942) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(carbamothioylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(carbamothioylamino)pyridine-4-carboxamide
PubChem CID175468942
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-(carbamothioylamino)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(NC(N)=S)c1
InChIInChI=1S/C7H8N4OS/c8-6(12)4-1-2-10-5(3-4)11-7(9)13/h1-3H,(H2,8,12)(H3,9,10,11,13)
InChIKeyOWSAKVSCRDJKRU-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

2-(methylamino)pyridine-4-carboxamide
CID 45084294
2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 167030632
(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
CID 170549235
(4-methylsulfonyl-2-pyridinyl)thiourea
CID 134821944
2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
2-(quinolin-6-ylamino)pyridine-4-carboxamide
CID 117094623
2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
CID 162627810
2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
CID 61020016
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
CID 64539180
2-[(2-amino-2-phenylethyl)amino]pyridine-4-carboxamide
CID 63120769
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313

Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylamino)pyridine-4-carboxamide?
The IUPAC name of 2-(carbamothioylamino)pyridine-4-carboxamide (CID 175468942) is 2-(carbamothioylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-(carbamothioylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-(carbamothioylamino)pyridine-4-carboxamide is NC(=O)c1ccnc(NC(N)=S)c1.
What is the InChIKey of 2-(carbamothioylamino)pyridine-4-carboxamide?
The InChIKey is OWSAKVSCRDJKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-6(12)4-1-2-10-5(3-4)11-7(9)13/h1-3H,(H2,8,12)(H3,9,10,11,13).
What are the key properties of 2-(carbamothioylamino)pyridine-4-carboxamide?
2-(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 2-(carbamothioylamino)pyridine-4-carboxamide is sourced from PubChem (CID 175468942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).