N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

C15H17F3N4O2S — CID 58267502

IUPACN-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCO)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)13-9-3-1-2-4-11(9)22(21-13)7-12-20-10(8-25-12)14(24)19-5-6-23/h8,23H,1-7H2,(H,19,24)
InChIKeyDZZQDUWGEPJHQN-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.01
Rot. Bonds5

About N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 58267502) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID58267502
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC NameN-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCO)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)13-9-3-1-2-4-11(9)22(21-13)7-12-20-10(8-25-12)14(24)19-5-6-23/h8,23H,1-7H2,(H,19,24)
InChIKeyDZZQDUWGEPJHQN-UHFFFAOYSA-N
XLogP2.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (CID 58267502) is N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCCO)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DZZQDUWGEPJHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c16-15(17,18)13-9-3-1-2-4-11(9)22(21-13)7-12-20-10(8-25-12)14(24)19-5-6-23/h8,23H,1-7H2,(H,19,24).
What are the key properties of N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58267502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).