N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide

C13H14N4O2S2 — CID 107468519

IUPACN-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1c(OC)cccc1C(N)=S
InChIInChI=1S/C13H14N4O2S2/c1-3-8-11(21-17-16-8)13(18)15-10-7(12(14)20)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3,(H2,14,20)(H,15,18)
InChIKeyOVDNVRVGRFSJOE-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.00
Rot. Bonds5

About N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide

N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 107468519) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID107468519
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC NameN-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1c(OC)cccc1C(N)=S
InChIInChI=1S/C13H14N4O2S2/c1-3-8-11(21-17-16-8)13(18)15-10-7(12(14)20)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3,(H2,14,20)(H,15,18)
InChIKeyOVDNVRVGRFSJOE-UHFFFAOYSA-N
XLogP2.00
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206156
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107468410
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
CID 55865042
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
CID 107468443
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid
CID 136712533
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylpentanamide
CID 107468418
N-(2-carbamothioyl-6-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107468485
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide (CID 107468519) is N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1c(OC)cccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is OVDNVRVGRFSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-3-8-11(21-17-16-8)13(18)15-10-7(12(14)20)5-4-6-9(10)19-2/h4-6H,3H2,1-2H3,(H2,14,20)(H,15,18).
What are the key properties of N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 322.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 107468519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).