1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H19F3N4OS — CID 52514818

IUPAC1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC[C@@H]1CCc2nc(NC(=O)c3cnn(CC)c3C(F)(F)F)sc2C1
InChIInChI=1S/C16H19F3N4OS/c1-3-9-5-6-11-12(7-9)25-15(21-11)22-14(24)10-8-20-23(4-2)13(10)16(17,18)19/h8-9H,3-7H2,1-2H3,(H,21,22,24)/t9-/m1/s1
InChIKeyLBMNVHDXLMUBNJ-SECBINFHSA-N
MW372.42 g/mol
LogP4.15
Rot. Bonds4

About 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 52514818) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID52514818
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC[C@@H]1CCc2nc(NC(=O)c3cnn(CC)c3C(F)(F)F)sc2C1
InChIInChI=1S/C16H19F3N4OS/c1-3-9-5-6-11-12(7-9)25-15(21-11)22-14(24)10-8-20-23(4-2)13(10)16(17,18)19/h8-9H,3-7H2,1-2H3,(H,21,22,24)/t9-/m1/s1
InChIKeyLBMNVHDXLMUBNJ-SECBINFHSA-N
XLogP4.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-(4,4-difluorocyclohexyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155546455
1-methyl-N-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 17168212
1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 75480196
2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
1-(2-fluorophenyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32149377
1-(2-fluorophenyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32149379
1-(2-fluorophenyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42947307
1-(2-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 43047404
1-(4-methylphenyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46549819
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46576767
1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 46577396
5-Methyl-1-propyl-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-YL)pyrazole-4-carboxamide
CID 46970324

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 52514818) is 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC[C@@H]1CCc2nc(NC(=O)c3cnn(CC)c3C(F)(F)F)sc2C1.
What is the InChIKey of 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LBMNVHDXLMUBNJ-SECBINFHSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-3-9-5-6-11-12(7-9)25-15(21-11)22-14(24)10-8-20-23(4-2)13(10)16(17,18)19/h8-9H,3-7H2,1-2H3,(H,21,22,24)/t9-/m1/s1.
What are the key properties of 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 52514818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).