2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide

C20H18N2O3S — CID 24952192

IUPAC2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)[C@H]1c2ccccc2Oc2cc(O)ccc21
InChIInChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
InChIKeyWFESRNFSHAPECN-KRWDZBQOSA-N
MW366.44 g/mol
LogP4.75
Rot. Bonds3

About 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide

2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24952192) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24952192
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)[C@H]1c2ccccc2Oc2cc(O)ccc21
InChIInChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
InChIKeyWFESRNFSHAPECN-KRWDZBQOSA-N
XLogP4.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 46943298
(3S)-3-(4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851364
(3R)-3-(4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851365
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851580
3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2956024
2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 2965349
N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 4125492
2-[4-(2,4-Dimethoxy-phenyl)-4-hydroxy-piperidin-1-yl]-N-thiazol-2-yl-acetamide
CID 652664
2-(2-oxo-3,4-dihydro-2H-chromen-4-yl)-N-1,3-thiazol-2-ylacetamide
CID 2962296
N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
CID 16371953
4-((7-methoxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)-N-(thiazol-2-yl)benzamide
CID 17599863
3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232609

Frequently Asked Questions

What is the IUPAC name of 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide (CID 24952192) is 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)[C@H]1c2ccccc2Oc2cc(O)ccc21.
What is the InChIKey of 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WFESRNFSHAPECN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1.
What are the key properties of 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 366.44 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9S)-3-hydroxy-9H-xanthen-9-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24952192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).