5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde

C11H8N4OS2 — CID 139343562

IUPAC5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESCSc1ccnc(-c2cnc3sc(C=O)cn23)n1
InChIInChI=1S/C11H8N4OS2/c1-17-9-2-3-12-10(14-9)8-4-13-11-15(8)5-7(6-16)18-11/h2-6H,1H3
InChIKeyNTUZXHHHUVRRGS-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.39
Rot. Bonds3

About 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde

5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde (PubChem CID 139343562) has the molecular formula C11H8N4OS2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde
PubChem CID139343562
Molecular FormulaC11H8N4OS2
Molecular Weight276.35 g/mol
Exact Mass276.01
IUPAC Name5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESCSc1ccnc(-c2cnc3sc(C=O)cn23)n1
InChIInChI=1S/C11H8N4OS2/c1-17-9-2-3-12-10(14-9)8-4-13-11-15(8)5-7(6-16)18-11/h2-6H,1H3
InChIKeyNTUZXHHHUVRRGS-UHFFFAOYSA-N
XLogP2.39
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(Pyrimidin-2-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 4447936
2-(Difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 139343758
5-(4-Methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343883
1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-2H-1,4-diazepin-5-one
CID 151739998
[5-(4-Methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 139343782
Ethyl 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 139343928
5-(4-Methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 176005114
6-[Methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505
6-(4-Methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55238007
6-[Methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61804348
6-Pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63801686
6-Pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63801735

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde (CID 139343562) is 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde is CSc1ccnc(-c2cnc3sc(C=O)cn23)n1.
What is the InChIKey of 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The InChIKey is NTUZXHHHUVRRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS2/c1-17-9-2-3-12-10(14-9)8-4-13-11-15(8)5-7(6-16)18-11/h2-6H,1H3.
What are the key properties of 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde has a molecular weight of 276.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 139343562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).