3-phenyl-4-propyl-1,2,5-thiadiazole

C11H12N2S — CID 12689835

IUPAC3-phenyl-4-propyl-1,2,5-thiadiazole
SMILESCCCc1nsnc1-c1ccccc1
InChIInChI=1S/C11H12N2S/c1-2-6-10-11(13-14-12-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyAJDUIGIVHJMZDK-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.16
Rot. Bonds3

About 3-phenyl-4-propyl-1,2,5-thiadiazole

3-phenyl-4-propyl-1,2,5-thiadiazole (PubChem CID 12689835) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-phenyl-4-propyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-phenyl-4-propyl-1,2,5-thiadiazole
PubChem CID12689835
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-phenyl-4-propyl-1,2,5-thiadiazole
SMILESCCCc1nsnc1-c1ccccc1
InChIInChI=1S/C11H12N2S/c1-2-6-10-11(13-14-12-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyAJDUIGIVHJMZDK-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-5-propyl-2H-triazole
CID 66772707
3,4-diethyl-2-phenyl-5,6-dipropylpyridine
CID 15439664
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
5-phenyl-3-propyl-1,4-benzodiazepin-2-one
CID 91051065
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine
CID 44723867
N-(2-methoxyphenyl)-4-phenyl-5-propyl-1,3-thiazol-2-amine
CID 672840

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propyl-1,2,5-thiadiazole?
The IUPAC name of 3-phenyl-4-propyl-1,2,5-thiadiazole (CID 12689835) is 3-phenyl-4-propyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-phenyl-4-propyl-1,2,5-thiadiazole?
The canonical SMILES for 3-phenyl-4-propyl-1,2,5-thiadiazole is CCCc1nsnc1-c1ccccc1.
What is the InChIKey of 3-phenyl-4-propyl-1,2,5-thiadiazole?
The InChIKey is AJDUIGIVHJMZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-6-10-11(13-14-12-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 3-phenyl-4-propyl-1,2,5-thiadiazole?
3-phenyl-4-propyl-1,2,5-thiadiazole has a molecular weight of 204.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propyl-1,2,5-thiadiazole is sourced from PubChem (CID 12689835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).