2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C14H18N4OS — CID 91629650

IUPAC2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2cnn3c2CCCC3)s1
InChIInChI=1S/C14H18N4OS/c1-9-13(20-10(2)17-9)14(19)15-7-11-8-16-18-6-4-3-5-12(11)18/h8H,3-7H2,1-2H3,(H,15,19)
InChIKeyBBBJSPROFBTGDM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.22
Rot. Bonds3

About 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 91629650) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID91629650
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2cnn3c2CCCC3)s1
InChIInChI=1S/C14H18N4OS/c1-9-13(20-10(2)17-9)14(19)15-7-11-8-16-18-6-4-3-5-12(11)18/h8H,3-7H2,1-2H3,(H,15,19)
InChIKeyBBBJSPROFBTGDM-UHFFFAOYSA-N
XLogP2.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 91629650) is 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2cnn3c2CCCC3)s1.
What is the InChIKey of 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BBBJSPROFBTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-13(20-10(2)17-9)14(19)15-7-11-8-16-18-6-4-3-5-12(11)18/h8H,3-7H2,1-2H3,(H,15,19).
What are the key properties of 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91629650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).