N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide

C14H14N4O2S — CID 107468084

IUPACN-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1snnc1C(C)C
InChIInChI=1S/C14H14N4O2S/c1-8(2)11-13(21-18-17-11)14(19)16-12-9(7-15)5-4-6-10(12)20-3/h4-6,8H,1-3H3,(H,16,19)
InChIKeyNPWWISSBSVSEFK-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.79
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 107468084) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID107468084
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1snnc1C(C)C
InChIInChI=1S/C14H14N4O2S/c1-8(2)11-13(21-18-17-11)14(19)16-12-9(7-15)5-4-6-10(12)20-3/h4-6,8H,1-3H3,(H,16,19)
InChIKeyNPWWISSBSVSEFK-UHFFFAOYSA-N
XLogP2.79
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204415
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107468982
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(3-carbamothioylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204613

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 107468084) is N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide is COc1cccc(C#N)c1NC(=O)c1snnc1C(C)C.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is NPWWISSBSVSEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8(2)11-13(21-18-17-11)14(19)16-12-9(7-15)5-4-6-10(12)20-3/h4-6,8H,1-3H3,(H,16,19).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 107468084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).