5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde

C12H13N3OS2 — CID 60658709

IUPAC5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C12H13N3OS2/c16-9-10-1-2-11(18-10)14-4-6-15(7-5-14)12-13-3-8-17-12/h1-3,8-9H,4-7H2
InChIKeyVRTDTTGRJXRUPG-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.34
Rot. Bonds3

About 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde

5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde (PubChem CID 60658709) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde
PubChem CID60658709
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C12H13N3OS2/c16-9-10-1-2-11(18-10)14-4-6-15(7-5-14)12-13-3-8-17-12/h1-3,8-9H,4-7H2
InChIKeyVRTDTTGRJXRUPG-UHFFFAOYSA-N
XLogP2.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 115423373
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
CID 55250932
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757440
4-chloro-5-(chloromethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 80687206
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
N-methylformamide;1-(1,3-thiazol-2-yl)piperidin-4-ol
CID 22243051
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde (CID 60658709) is 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde is O=Cc1ccc(N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde?
The InChIKey is VRTDTTGRJXRUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c16-9-10-1-2-11(18-10)14-4-6-15(7-5-14)12-13-3-8-17-12/h1-3,8-9H,4-7H2.
What are the key properties of 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde?
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde has a molecular weight of 279.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 60658709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).