2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

C14H20N4OS — CID 49491094

IUPAC2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C14H20N4OS/c1-8-10(7-16-18-8)6-15-12(19)11-9(2)17-13(20-11)14(3,4)5/h7H,6H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyCBFVFGGKVXDDLJ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.71
Rot. Bonds3

About 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 49491094) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID49491094
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C14H20N4OS/c1-8-10(7-16-18-8)6-15-12(19)11-9(2)17-13(20-11)14(3,4)5/h7H,6H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyCBFVFGGKVXDDLJ-UHFFFAOYSA-N
XLogP2.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 49491094) is 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NCc1cn[nH]c1C.
What is the InChIKey of 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CBFVFGGKVXDDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-10(7-16-18-8)6-15-12(19)11-9(2)17-13(20-11)14(3,4)5/h7H,6H2,1-5H3,(H,15,19)(H,16,18).
What are the key properties of 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49491094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).