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

C20H24N4OS — CID 49025395

IUPAC2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H24N4OS/c1-14-17(26-19(23-14)20(2,3)4)18(25)21-12-15-7-5-8-16(11-15)13-24-10-6-9-22-24/h5-11H,12-13H2,1-4H3,(H,21,25)
InChIKeyYVTYDPMBGNYTSP-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.92
Rot. Bonds5

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

2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 49025395) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID49025395
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H24N4OS/c1-14-17(26-19(23-14)20(2,3)4)18(25)21-12-15-7-5-8-16(11-15)13-24-10-6-9-22-24/h5-11H,12-13H2,1-4H3,(H,21,25)
InChIKeyYVTYDPMBGNYTSP-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953897
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 133313975
3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55955040
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954134
1-benzyl-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110955028
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953250
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48985394
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 55954545

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 49025395) is 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YVTYDPMBGNYTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-17(26-19(23-14)20(2,3)4)18(25)21-12-15-7-5-8-16(11-15)13-24-10-6-9-22-24/h5-11H,12-13H2,1-4H3,(H,21,25).
What are the key properties of 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49025395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).