4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

C18H13N3O3S — CID 136601959

IUPAC4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C=C2C=Nc3cnc(OCc4ccccc4)cc32)s1
InChIInChI=1S/C18H13N3O3S/c22-17-15(25-18(23)21-17)6-12-8-19-14-9-20-16(7-13(12)14)24-10-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,21,23)
InChIKeyQKYPOPBESRDUES-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.37
Rot. Bonds4

About 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 136601959) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID136601959
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C=C2C=Nc3cnc(OCc4ccccc4)cc32)s1
InChIInChI=1S/C18H13N3O3S/c22-17-15(25-18(23)21-17)6-12-8-19-14-9-20-16(7-13(12)14)24-10-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,21,23)
InChIKeyQKYPOPBESRDUES-UHFFFAOYSA-N
XLogP3.37
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione
CID 135880757
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
CID 135420896
6-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135467574
6-hydroxy-5-[(E)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135468644
3-(2,2-dimethylpropanoyl)-4-hydroxy-5-[(5-phenylmethoxyindol-3-ylidene)methyl]-1,3-thiazol-2-one
CID 173258653
1,3-diethyl-6-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135921196
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(3-phenylpropyl)-1,3-thiazol-2-one
CID 137126952
4-amino-6-phenylmethoxypyridin-3-ol;hydrochloride
CID 86731412
5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 135709824
6-hydroxy-5-[(4-phenylmethoxyindol-3-ylidene)methyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 136656826
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 136647437

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 136601959) is 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(C=C2C=Nc3cnc(OCc4ccccc4)cc32)s1.
What is the InChIKey of 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QKYPOPBESRDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-17-15(25-18(23)21-17)6-12-8-19-14-9-20-16(7-13(12)14)24-10-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,21,23).
What are the key properties of 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 351.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136601959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).