N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C19H17N5O2S — CID 164547902

IUPACN-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C)cnc3C)c2s1
InChIInChI=1S/C19H17N5O2S/c1-11-7-15(12(2)21-8-11)23-17(25)14-9-22-24-10-16(27-19(14)24)13-5-4-6-20-18(13)26-3/h4-10H,1-3H3,(H,23,25)
InChIKeyDRJGNAOTFOECIN-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.73
Rot. Bonds4

About N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547902) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547902
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C)cnc3C)c2s1
InChIInChI=1S/C19H17N5O2S/c1-11-7-15(12(2)21-8-11)23-17(25)14-9-22-24-10-16(27-19(14)24)13-5-4-6-20-18(13)26-3/h4-10H,1-3H3,(H,23,25)
InChIKeyDRJGNAOTFOECIN-UHFFFAOYSA-N
XLogP3.73
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547902) is N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C)cnc3C)c2s1.
What is the InChIKey of N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is DRJGNAOTFOECIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-11-7-15(12(2)21-8-11)23-17(25)14-9-22-24-10-16(27-19(14)24)13-5-4-6-20-18(13)26-3/h4-10H,1-3H3,(H,23,25).
What are the key properties of N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).