2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one

C17H19N3O2S — CID 141386037

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
SMILESCc1csc(C2CC(=O)c3cc(N4CCNCC4)ccc3O2)n1
InChIInChI=1S/C17H19N3O2S/c1-11-10-23-17(19-11)16-9-14(21)13-8-12(2-3-15(13)22-16)20-6-4-18-5-7-20/h2-3,8,10,16,18H,4-7,9H2,1H3
InChIKeyKFPOHLFRZAETPI-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.57
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one

2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one (PubChem CID 141386037) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
PubChem CID141386037
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
SMILESCc1csc(C2CC(=O)c3cc(N4CCNCC4)ccc3O2)n1
InChIInChI=1S/C17H19N3O2S/c1-11-10-23-17(19-11)16-9-14(21)13-8-12(2-3-15(13)22-16)20-6-4-18-5-7-20/h2-3,8,10,16,18H,4-7,9H2,1H3
InChIKeyKFPOHLFRZAETPI-UHFFFAOYSA-N
XLogP2.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
CID 141386086
2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
CID 141386053
2-(3-chloro-4-methoxyphenyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
CID 141386085
3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622539
6-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 141386094
4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole
CID 141376544
2-(2-fluoro-4,5-dimethoxyphenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2,3-dihydrochromen-4-one
CID 141386050
4-ethyl-2-phenyl-6-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 83523706
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
2-(3-chloro-4-methoxyphenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2,3-dihydrochromen-4-one
CID 141386048
5-(4-methyl-1,3-thiazol-2-yl)oxolan-2-one
CID 103439880
7-(3-methylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 123296157

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one (CID 141386037) is 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one is Cc1csc(C2CC(=O)c3cc(N4CCNCC4)ccc3O2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is KFPOHLFRZAETPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-10-23-17(19-11)16-9-14(21)13-8-12(2-3-15(13)22-16)20-6-4-18-5-7-20/h2-3,8,10,16,18H,4-7,9H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 329.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 141386037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).