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

C11H14N4O2S — CID 167881727

IUPAC5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(N2CCN(C(=O)CO)CC2)c1C#N
InChIInChI=1S/C11H14N4O2S/c1-8-9(6-12)11(18-13-8)15-4-2-14(3-5-15)10(17)7-16/h16H,2-5,7H2,1H3
InChIKeyNWZLLSAOLJRNHS-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.04
Rot. Bonds2

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

5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 167881727) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID167881727
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(N2CCN(C(=O)CO)CC2)c1C#N
InChIInChI=1S/C11H14N4O2S/c1-8-9(6-12)11(18-13-8)15-4-2-14(3-5-15)10(17)7-16/h16H,2-5,7H2,1H3
InChIKeyNWZLLSAOLJRNHS-UHFFFAOYSA-N
XLogP-0.04
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 100759257
4-[[[4-(4-cyano-3-methyl-1,2-thiazol-5-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122020156
5-[4-(2-fluoro-4-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile
CID 136543890
3-[4-(4-cyano-3-methyl-1,2-thiazol-5-yl)piperazin-1-yl]sulfonylbenzoic acid
CID 146132975
5-(5,5-dioxo-5λ6-thia-8-azaspiro[3.6]decan-8-yl)-3-methyl-1,2-thiazole-4-carbonitrile
CID 128732160
5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile
CID 136542924
(3aS,6aR)-5-(4-cyano-3-methyl-1,2-thiazol-5-yl)-2,2-dioxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-c]pyrrole-3a-carboxylic acid
CID 167915312
3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 167864495
N-[4-(4-cyano-3-methyl-1,2-thiazol-5-yl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]-2-methylpropanamide
CID 167814155
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968
4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid
CID 138491806
3-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 47089440

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile (CID 167881727) is 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile is Cc1nsc(N2CCN(C(=O)CO)CC2)c1C#N.
What is the InChIKey of 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is NWZLLSAOLJRNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8-9(6-12)11(18-13-8)15-4-2-14(3-5-15)10(17)7-16/h16H,2-5,7H2,1H3.
What are the key properties of 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile?
5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 167881727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).