4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde

C11H15N3O2S — CID 110850068

IUPAC4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde
SMILESCc1nc(C(=O)N2CCN(C=O)CC2)c(C)s1
InChIInChI=1S/C11H15N3O2S/c1-8-10(12-9(2)17-8)11(16)14-5-3-13(7-15)4-6-14/h7H,3-6H2,1-2H3
InChIKeyVUFBEZWVRDLVBF-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.67
Rot. Bonds2

About 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde

4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110850068) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde
PubChem CID110850068
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde
SMILESCc1nc(C(=O)N2CCN(C=O)CC2)c(C)s1
InChIInChI=1S/C11H15N3O2S/c1-8-10(12-9(2)17-8)11(16)14-5-3-13(7-15)4-6-14/h7H,3-6H2,1-2H3
InChIKeyVUFBEZWVRDLVBF-UHFFFAOYSA-N
XLogP0.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 110465501
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110328771
1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 77095886
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
(6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 120536127
4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
CID 110704162
2-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535096
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110648662
(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537406
(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116715

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde (CID 110850068) is 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde is Cc1nc(C(=O)N2CCN(C=O)CC2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is VUFBEZWVRDLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-10(12-9(2)17-8)11(16)14-5-3-13(7-15)4-6-14/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde?
4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 253.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110850068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).