N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide

C12H11N3O2S — CID 875154

IUPACN-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide
SMILESCc1ccnc(NC(=S)NC(=O)c2ccco2)c1
InChIInChI=1S/C12H11N3O2S/c1-8-4-5-13-10(7-8)14-12(18)15-11(16)9-3-2-6-17-9/h2-7H,1H3,(H2,13,14,15,16,18)
InChIKeyWBCVNVHMWHVHQN-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.11
Rot. Bonds2

About N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide

N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide (PubChem CID 875154) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide
PubChem CID875154
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide
SMILESCc1ccnc(NC(=S)NC(=O)c2ccco2)c1
InChIInChI=1S/C12H11N3O2S/c1-8-4-5-13-10(7-8)14-12(18)15-11(16)9-3-2-6-17-9/h2-7H,1H3,(H2,13,14,15,16,18)
InChIKeyWBCVNVHMWHVHQN-UHFFFAOYSA-N
XLogP2.11
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide (CID 875154) is N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide is Cc1ccnc(NC(=S)NC(=O)c2ccco2)c1.
What is the InChIKey of N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is WBCVNVHMWHVHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-4-5-13-10(7-8)14-12(18)15-11(16)9-3-2-6-17-9/h2-7H,1H3,(H2,13,14,15,16,18).
What are the key properties of N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide?
N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).