4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde

C10H11ClN2OS — CID 106315180

IUPAC4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1=CCCN(c2nc(Cl)c(C=O)s2)C1
InChIInChI=1S/C10H11ClN2OS/c1-7-3-2-4-13(5-7)10-12-9(11)8(6-14)15-10/h3,6H,2,4-5H2,1H3
InChIKeyVYBURENMCOQPGV-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 106315180) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID106315180
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1=CCCN(c2nc(Cl)c(C=O)s2)C1
InChIInChI=1S/C10H11ClN2OS/c1-7-3-2-4-13(5-7)10-12-9(11)8(6-14)15-10/h3,6H,2,4-5H2,1H3
InChIKeyVYBURENMCOQPGV-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-methylideneazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
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4-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-5-carbaldehyde
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4-chloro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carbaldehyde
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4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
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4-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80687246
4-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
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4-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107393347
4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazole-5-carbaldehyde
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4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687435
4-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 102884277
ethyl 1-(4-chloro-5-formyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 53273642
4-chloro-2-(2-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687257

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 106315180) is 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde is CC1=CCCN(c2nc(Cl)c(C=O)s2)C1.
What is the InChIKey of 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is VYBURENMCOQPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-7-3-2-4-13(5-7)10-12-9(11)8(6-14)15-10/h3,6H,2,4-5H2,1H3.
What are the key properties of 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 242.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 106315180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).