N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H28N6O3S — CID 171408618

IUPACN-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(CC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3c(C)noc3C)sc12
InChIInChI=1S/C25H28N6O3S/c1-14-20(7-17(8-26-14)6-18(32)10-30-12-25(4,5)13-30)28-23(33)19-9-27-31-11-21(35-24(19)31)22-15(2)29-34-16(22)3/h7-9,11H,6,10,12-13H2,1-5H3,(H,28,33)
InChIKeyZIQLXTJDWOMDDQ-UHFFFAOYSA-N
MW492.61 g/mol
LogP4.08
Rot. Bonds7

About N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 171408618) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID171408618
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC NameN-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(CC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3c(C)noc3C)sc12
InChIInChI=1S/C25H28N6O3S/c1-14-20(7-17(8-26-14)6-18(32)10-30-12-25(4,5)13-30)28-23(33)19-9-27-31-11-21(35-24(19)31)22-15(2)29-34-16(22)3/h7-9,11H,6,10,12-13H2,1-5H3,(H,28,33)
InChIKeyZIQLXTJDWOMDDQ-UHFFFAOYSA-N
XLogP4.08
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 171408618) is N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(CC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3c(C)noc3C)sc12.
What is the InChIKey of N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is ZIQLXTJDWOMDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-14-20(7-17(8-26-14)6-18(32)10-30-12-25(4,5)13-30)28-23(33)19-9-27-31-11-21(35-24(19)31)22-15(2)29-34-16(22)3/h7-9,11H,6,10,12-13H2,1-5H3,(H,28,33).
What are the key properties of N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 171408618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).