N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C16H21F3N4OS — CID 136537752

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ncsc2C(F)(F)F)n(C(C)(C)C)n1
InChIInChI=1S/C16H21F3N4OS/c1-14(2,3)9-7-10(23(22-9)15(4,5)6)21-13(24)11-12(16(17,18)19)25-8-20-11/h7-8H,1-6H3,(H,21,24)
InChIKeyQAVQLJYXUXXFHB-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.66
Rot. Bonds2

About N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 136537752) has the molecular formula C16H21F3N4OS and a molecular weight of 374.43 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID136537752
Molecular FormulaC16H21F3N4OS
Molecular Weight374.43 g/mol
Exact Mass374.14
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ncsc2C(F)(F)F)n(C(C)(C)C)n1
InChIInChI=1S/C16H21F3N4OS/c1-14(2,3)9-7-10(23(22-9)15(4,5)6)21-13(24)11-12(16(17,18)19)25-8-20-11/h7-8H,1-6H3,(H,21,24)
InChIKeyQAVQLJYXUXXFHB-UHFFFAOYSA-N
XLogP4.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 136537752) is N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2ncsc2C(F)(F)F)n(C(C)(C)C)n1.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QAVQLJYXUXXFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4OS/c1-14(2,3)9-7-10(23(22-9)15(4,5)6)21-13(24)11-12(16(17,18)19)25-8-20-11/h7-8H,1-6H3,(H,21,24).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-ditert-butylpyrazol-5-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136537752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).