[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone

C10H12N2O2S — CID 116585316

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNCc1nc(C(=O)C2=COCCC2)cs1
InChIInChI=1S/C10H12N2O2S/c11-4-9-12-8(6-15-9)10(13)7-2-1-3-14-5-7/h5-6H,1-4,11H2
InChIKeyQUGFACZOOZWXNZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.48
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 116585316) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID116585316
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNCc1nc(C(=O)C2=COCCC2)cs1
InChIInChI=1S/C10H12N2O2S/c11-4-9-12-8(6-15-9)10(13)7-2-1-3-14-5-7/h5-6H,1-4,11H2
InChIKeyQUGFACZOOZWXNZ-UHFFFAOYSA-N
XLogP1.48
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(cyclohepten-1-yl)methanone
CID 106655474
1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-2-en-1-one
CID 116585165
[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone
CID 131110938
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
CID 116585062
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66379843
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116585193
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514931
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 116585316) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone is NCc1nc(C(=O)C2=COCCC2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is QUGFACZOOZWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-4-9-12-8(6-15-9)10(13)7-2-1-3-14-5-7/h5-6H,1-4,11H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 224.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 116585316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).