2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C7H8F3N3O2S — CID 138459320

IUPAC2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)5-3(2-14)16-6(13-5)12-4(15)1-11/h14H,1-2,11H2,(H,12,13,15)
InChIKeyFCHCPXVWWCCMAG-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.55
Rot. Bonds3

About 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 138459320) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID138459320
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)5-3(2-14)16-6(13-5)12-4(15)1-11/h14H,1-2,11H2,(H,12,13,15)
InChIKeyFCHCPXVWWCCMAG-UHFFFAOYSA-N
XLogP0.55
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 86586329
[2-acetamido-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl N-aminocarbamate
CID 123458990
ethyl 2-(pentanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560761
ethyl 2-(3-methylbutanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84561176
ethyl 2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560961
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84558528
4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 135312690
ethyl 2-[3-(4-methylphenyl)propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559958
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide
CID 82342366
4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 135312681

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 138459320) is 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is NCC(=O)Nc1nc(C(F)(F)F)c(CO)s1.
What is the InChIKey of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FCHCPXVWWCCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c8-7(9,10)5-3(2-14)16-6(13-5)12-4(15)1-11/h14H,1-2,11H2,(H,12,13,15).
What are the key properties of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 255.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 138459320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).