3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile

C10H8N4OS — CID 106951468

IUPAC3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1nnc(N)s1
InChIInChI=1S/C10H8N4OS/c1-15-8-3-2-6(5-11)4-7(8)9-13-14-10(12)16-9/h2-4H,1H3,(H2,12,14)
InChIKeyJQGUTPIDLQCJNK-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.67
Rot. Bonds2

About 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile

3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile (PubChem CID 106951468) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile
PubChem CID106951468
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1-c1nnc(N)s1
InChIInChI=1S/C10H8N4OS/c1-15-8-3-2-6(5-11)4-7(8)9-13-14-10(12)16-9/h2-4H,1H3,(H2,12,14)
InChIKeyJQGUTPIDLQCJNK-UHFFFAOYSA-N
XLogP1.67
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzonitrile
CID 106951673
3-(4-amino-1,2,5-thiadiazol-3-yl)-4-methoxybenzonitrile
CID 106951514
3-(6-amino-3,5-dichloro-2-pyridinyl)-4-methoxybenzonitrile
CID 106951535
3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-methoxybenzonitrile
CID 106951503
3-(6-bromo-2-pyridinyl)-4-methoxybenzonitrile
CID 106951430
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
5-[2-methoxy-5-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 162788027
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
5-(5-cyano-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 106950943
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951542

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile?
The IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile (CID 106951468) is 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile.
What is the SMILES notation for 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile?
The canonical SMILES for 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile is COc1ccc(C#N)cc1-c1nnc(N)s1.
What is the InChIKey of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile?
The InChIKey is JQGUTPIDLQCJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-15-8-3-2-6(5-11)4-7(8)9-13-14-10(12)16-9/h2-4H,1H3,(H2,12,14).
What are the key properties of 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile?
3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile is sourced from PubChem (CID 106951468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).