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

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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).