N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide

C8H8N6O2S — CID 2950680

IUPACN-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide
SMILESCn1nnc(NC(=S)NC(=O)c2ccco2)n1
InChIInChI=1S/C8H8N6O2S/c1-14-12-7(11-13-14)10-8(17)9-6(15)5-3-2-4-16-5/h2-4H,1H3,(H2,9,10,12,15,17)
InChIKeyNEHCSIQJCCFFKE-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.07
Rot. Bonds2

About N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide

N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide (PubChem CID 2950680) has the molecular formula C8H8N6O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide
PubChem CID2950680
Molecular FormulaC8H8N6O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC NameN-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide
SMILESCn1nnc(NC(=S)NC(=O)c2ccco2)n1
InChIInChI=1S/C8H8N6O2S/c1-14-12-7(11-13-14)10-8(17)9-6(15)5-3-2-4-16-5/h2-4H,1H3,(H2,9,10,12,15,17)
InChIKeyNEHCSIQJCCFFKE-UHFFFAOYSA-N
XLogP-0.07
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
(E)-3-(furan-2-yl)-N-[(2-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide
CID 959863
5-bromo-N-(2-ethyl-2H-tetraazol-5-yl)-2-furamide
CID 972620
4,5-dimethyl-N-1,3,4-thiadiazol-2-yl-2-furamide
CID 2991856
Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 3570554
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 22517562
(3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone
CID 661164
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 44403265
5-bromo-N-(2-methyl-2H-tetrazol-5-yl)furan-2-carboxamide
CID 1994334
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 655995

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide (CID 2950680) is N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide is Cn1nnc(NC(=S)NC(=O)c2ccco2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide?
The InChIKey is NEHCSIQJCCFFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2S/c1-14-12-7(11-13-14)10-8(17)9-6(15)5-3-2-4-16-5/h2-4H,1H3,(H2,9,10,12,15,17).
What are the key properties of N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide?
N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide has a molecular weight of 252.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 2950680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).