2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide

C13H17N5OS — CID 30607782

IUPAC2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)n(C)n1
InChIInChI=1S/C13H17N5OS/c1-8-6-10(18(3)16-8)12(19)15-13-14-9-4-5-17(2)7-11(9)20-13/h6H,4-5,7H2,1-3H3,(H,14,15,19)
InChIKeyNRPOWOPRIZSTFW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.43
Rot. Bonds2

About 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide

2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide (PubChem CID 30607782) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
PubChem CID30607782
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)n(C)n1
InChIInChI=1S/C13H17N5OS/c1-8-6-10(18(3)16-8)12(19)15-13-14-9-4-5-17(2)7-11(9)20-13/h6H,4-5,7H2,1-3H3,(H,14,15,19)
InChIKeyNRPOWOPRIZSTFW-UHFFFAOYSA-N
XLogP1.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide (CID 30607782) is 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
The InChIKey is NRPOWOPRIZSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8-6-10(18(3)16-8)12(19)15-13-14-9-4-5-17(2)7-11(9)20-13/h6H,4-5,7H2,1-3H3,(H,14,15,19).
What are the key properties of 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 30607782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).