N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C16H14ClN5O3S2 — CID 44623047

IUPACN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cnc1Cl
InChIInChI=1S/C16H14ClN5O3S2/c1-27(24,25)22-12-6-9(7-18-13(12)17)10-4-5-11-15(19-10)26-16(20-11)21-14(23)8-2-3-8/h4-8,22H,2-3H2,1H3,(H,20,21,23)
InChIKeyRIXYUTONIVIZET-UHFFFAOYSA-N
MW423.91 g/mol
LogP3.13
Rot. Bonds5

About N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44623047) has the molecular formula C16H14ClN5O3S2 and a molecular weight of 423.91 g/mol. Its IUPAC name is N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44623047
Molecular FormulaC16H14ClN5O3S2
Molecular Weight423.91 g/mol
Exact Mass423.02
IUPAC NameN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cnc1Cl
InChIInChI=1S/C16H14ClN5O3S2/c1-27(24,25)22-12-6-9(7-18-13(12)17)10-4-5-11-15(19-10)26-16(20-11)21-14(23)8-2-3-8/h4-8,22H,2-3H2,1H3,(H,20,21,23)
InChIKeyRIXYUTONIVIZET-UHFFFAOYSA-N
XLogP3.13
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 44623047) is N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is CS(=O)(=O)Nc1cc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cnc1Cl.
What is the InChIKey of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is RIXYUTONIVIZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S2/c1-27(24,25)22-12-6-9(7-18-13(12)17)10-4-5-11-15(19-10)26-16(20-11)21-14(23)8-2-3-8/h4-8,22H,2-3H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 423.91 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44623047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).