5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde

C10H14N2OS — CID 62929837

IUPAC5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESCC(C)N1CCc2nc(C=O)sc2C1
InChIInChI=1S/C10H14N2OS/c1-7(2)12-4-3-8-9(5-12)14-10(6-13)11-8/h6-7H,3-5H2,1-2H3
InChIKeyPEVVRSVRQPOUOC-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.72
Rot. Bonds2

About 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde

5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (PubChem CID 62929837) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
PubChem CID62929837
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESCC(C)N1CCc2nc(C=O)sc2C1
InChIInChI=1S/C10H14N2OS/c1-7(2)12-4-3-8-9(5-12)14-10(6-13)11-8/h6-7H,3-5H2,1-2H3
InChIKeyPEVVRSVRQPOUOC-UHFFFAOYSA-N
XLogP1.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.72
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

5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid hydrochloride
CID 11149031
tert-butyl 2-formyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 45489911
ethyl 5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 58117032
4,5,6,7-Tetrahydro-5-methylthiazolo(5,4-c)pyridine-2-carboxylic acid
CID 11149032
2-ethyl-7-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 68251372
7-fluoro-2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 89535395
5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 118027097
2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
CID 118152515
1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 126758695
ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
CID 144565851
5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
CID 151479210
5-(2,2-difluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
CID 152106156

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The IUPAC name of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (CID 62929837) is 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The canonical SMILES for 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is CC(C)N1CCc2nc(C=O)sc2C1.
What is the InChIKey of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The InChIKey is PEVVRSVRQPOUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(2)12-4-3-8-9(5-12)14-10(6-13)11-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 62929837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).