2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C17H26N4OS — CID 49024582

IUPAC2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C17H26N4OS/c1-9(2)21-12(5)13(10(3)20-21)19-15(22)14-11(4)18-16(23-14)17(6,7)8/h9H,1-8H3,(H,19,22)
InChIKeyGJFCIJNHSDXUPB-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.40
Rot. Bonds3

About 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49024582) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49024582
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C17H26N4OS/c1-9(2)21-12(5)13(10(3)20-21)19-15(22)14-11(4)18-16(23-14)17(6,7)8/h9H,1-8H3,(H,19,22)
InChIKeyGJFCIJNHSDXUPB-UHFFFAOYSA-N
XLogP4.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 49024582) is 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GJFCIJNHSDXUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-9(2)21-12(5)13(10(3)20-21)19-15(22)14-11(4)18-16(23-14)17(6,7)8/h9H,1-8H3,(H,19,22).
What are the key properties of 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49024582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).