2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one

C19H20N2O2S — CID 15142771

IUPAC2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1oc2ccc(-c3csc(N4CCCCC4)n3)cc2c(=O)c1C
InChIInChI=1S/C19H20N2O2S/c1-12-13(2)23-17-7-6-14(10-15(17)18(12)22)16-11-24-19(20-16)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyBNOODLOCIJZNRI-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.52
Rot. Bonds2

About 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one

2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one (PubChem CID 15142771) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one
PubChem CID15142771
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1oc2ccc(-c3csc(N4CCCCC4)n3)cc2c(=O)c1C
InChIInChI=1S/C19H20N2O2S/c1-12-13(2)23-17-7-6-14(10-15(17)18(12)22)16-11-24-19(20-16)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyBNOODLOCIJZNRI-UHFFFAOYSA-N
XLogP4.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-anilino-1,3-thiazol-4-yl)-2,3-dimethylchromen-4-one
CID 86032331
1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 9420001
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 99600302
4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
CID 23741861
2-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]-5,6,7,8-tetrahydro-4H-1,3-oxazonin-9-one
CID 143504885
(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71811046
7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one
CID 175584361
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 17467764
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one?
The IUPAC name of 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one (CID 15142771) is 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one?
The canonical SMILES for 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one is Cc1oc2ccc(-c3csc(N4CCCCC4)n3)cc2c(=O)c1C.
What is the InChIKey of 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one?
The InChIKey is BNOODLOCIJZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-13(2)23-17-7-6-14(10-15(17)18(12)22)16-11-24-19(20-16)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one?
2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one has a molecular weight of 340.45 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one is sourced from PubChem (CID 15142771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).