3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

C15H16N4OS2 — CID 100759257

IUPAC3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)s1
InChIInChI=1S/C15H16N4OS2/c1-10-3-4-13(21-10)14(20)18-5-7-19(8-6-18)15-12(9-16)11(2)17-22-15/h3-4H,5-8H2,1-2H3
InChIKeyNYDREOWRIDIZSA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.66
Rot. Bonds2

About 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 100759257) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID100759257
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)s1
InChIInChI=1S/C15H16N4OS2/c1-10-3-4-13(21-10)14(20)18-5-7-19(8-6-18)15-12(9-16)11(2)17-22-15/h3-4H,5-8H2,1-2H3
InChIKeyNYDREOWRIDIZSA-UHFFFAOYSA-N
XLogP2.66
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile
CID 167881727
5-[4-(2-fluoro-4-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile
CID 136543890
4-[[[4-(4-cyano-3-methyl-1,2-thiazol-5-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122020156
2-chloro-4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 133288465
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 136518800
(5-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818629
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313979
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120847972
2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133396446
[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 100759265

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile (CID 100759257) is 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile is Cc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)s1.
What is the InChIKey of 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is NYDREOWRIDIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-10-3-4-13(21-10)14(20)18-5-7-19(8-6-18)15-12(9-16)11(2)17-22-15/h3-4H,5-8H2,1-2H3.
What are the key properties of 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 332.45 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 100759257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).