3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide

C19H18Cl2N4O2S — CID 144738337

IUPAC3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
SMILESCC[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2O)CN1c1ccc2ncsc2n1
InChIInChI=1S/C19H18Cl2N4O2S/c1-2-12-7-11(23-18(27)13-5-10(20)6-14(21)17(13)26)8-25(12)16-4-3-15-19(24-16)28-9-22-15/h3-6,9,11-12,26H,2,7-8H2,1H3,(H,23,27)/t11-,12-/m0/s1
InChIKeyBATPTKXCBOGQMZ-RYUDHWBXSA-N
MW437.35 g/mol
LogP4.49
Rot. Bonds4

About 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide

3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide (PubChem CID 144738337) has the molecular formula C19H18Cl2N4O2S and a molecular weight of 437.35 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
PubChem CID144738337
Molecular FormulaC19H18Cl2N4O2S
Molecular Weight437.35 g/mol
Exact Mass436.05
IUPAC Name3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
SMILESCC[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2O)CN1c1ccc2ncsc2n1
InChIInChI=1S/C19H18Cl2N4O2S/c1-2-12-7-11(23-18(27)13-5-10(20)6-14(21)17(13)26)8-25(12)16-4-3-15-19(24-16)28-9-22-15/h3-6,9,11-12,26H,2,7-8H2,1H3,(H,23,27)/t11-,12-/m0/s1
InChIKeyBATPTKXCBOGQMZ-RYUDHWBXSA-N
XLogP4.49
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide (CID 144738337) is 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide is CC[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2O)CN1c1ccc2ncsc2n1.
What is the InChIKey of 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
The InChIKey is BATPTKXCBOGQMZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2S/c1-2-12-7-11(23-18(27)13-5-10(20)6-14(21)17(13)26)8-25(12)16-4-3-15-19(24-16)28-9-22-15/h3-6,9,11-12,26H,2,7-8H2,1H3,(H,23,27)/t11-,12-/m0/s1.
What are the key properties of 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide?
3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide has a molecular weight of 437.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 144738337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).