2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide

C16H13F3N4O2S — CID 129205666

IUPAC2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(CO)s1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)11-3-1-2-10(4-11)6-23-7-13(21-9-23)22-15(25)12-5-20-14(8-24)26-12/h1-5,7,9,24H,6,8H2,(H,22,25)
InChIKeyYHRMEUSYTQQNPP-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.15
Rot. Bonds5

About 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide

2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 129205666) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID129205666
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(CO)s1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)11-3-1-2-10(4-11)6-23-7-13(21-9-23)22-15(25)12-5-20-14(8-24)26-12/h1-5,7,9,24H,6,8H2,(H,22,25)
InChIKeyYHRMEUSYTQQNPP-UHFFFAOYSA-N
XLogP3.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
5-bromo-6-(1,2-dihydroxyethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233156
5-bromo-6-ethenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233338
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
4-ethyl-5-(methylaminomethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-2-carboxamide
CID 134525338
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 134518215
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826
N-[1-[4-methyl-6-(nitrosomethyl)-3-pyridinyl]ethenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 134448042
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446
[2-methoxy-5-[(E)-3-oxo-3-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]amino]prop-1-enyl]-3-pyridinyl] acetate
CID 155073909

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide (CID 129205666) is 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1)c1cnc(CO)s1.
What is the InChIKey of 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YHRMEUSYTQQNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)11-3-1-2-10(4-11)6-23-7-13(21-9-23)22-15(25)12-5-20-14(8-24)26-12/h1-5,7,9,24H,6,8H2,(H,22,25).
What are the key properties of 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide?
2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129205666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).