2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

C18H14N4O2S — CID 11717275

IUPAC2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C18H14N4O2S/c23-12-4-1-3-11(7-12)8-16(24)22-18-21-15(10-25-18)14-9-20-17-13(14)5-2-6-19-17/h1-7,9-10,23H,8H2,(H,19,20)(H,21,22,24)
InChIKeyKLJSGAQTZCCEGQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.57
Rot. Bonds4

About 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11717275) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11717275
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C18H14N4O2S/c23-12-4-1-3-11(7-12)8-16(24)22-18-21-15(10-25-18)14-9-20-17-13(14)5-2-6-19-17/h1-7,9-10,23H,8H2,(H,19,20)(H,21,22,24)
InChIKeyKLJSGAQTZCCEGQ-UHFFFAOYSA-N
XLogP3.57
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide (CID 11717275) is 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1cccc(O)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KLJSGAQTZCCEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-12-4-1-3-11(7-12)8-16(24)22-18-21-15(10-25-18)14-9-20-17-13(14)5-2-6-19-17/h1-7,9-10,23H,8H2,(H,19,20)(H,21,22,24).
What are the key properties of 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11717275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).