1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid

C7H7F3N2O4S — CID 69304349

IUPAC1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid
SMILESNC(=O)OCc1cncs1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O2S.C2HF3O2/c6-5(8)9-2-4-1-7-3-10-4;3-2(4,5)1(6)7/h1,3H,2H2,(H2,6,8);(H,6,7)
InChIKeyXACQIJYEUMGWAT-UHFFFAOYSA-N
MW272.20 g/mol
LogP1.37
Rot. Bonds2

About 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid

1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid (PubChem CID 69304349) has the molecular formula C7H7F3N2O4S and a molecular weight of 272.20 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid
PubChem CID69304349
Molecular FormulaC7H7F3N2O4S
Molecular Weight272.20 g/mol
Exact Mass272.01
IUPAC Name1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid
SMILESNC(=O)OCc1cncs1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O2S.C2HF3O2/c6-5(8)9-2-4-1-7-3-10-4;3-2(4,5)1(6)7/h1,3H,2H2,(H2,6,8);(H,6,7)
InChIKeyXACQIJYEUMGWAT-UHFFFAOYSA-N
XLogP1.37
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thiazol-5-ylmethyl carbamate
CID 18759075
5-Thiazolemethanol, 5-acetate
CID 59090893
[Difluoro(1,3-thiazol-5-yl)methyl] acetate
CID 53494837
1,3-Thiazol-5-ylmethyl 2,2,2-trifluoroacetate
CID 87921824
5-((Difluoromethoxy)methyl)thiazole
CID 121228935
1,3-Thiazol-5-ylmethyl hydrogen carbonate
CID 54002772
1,3-thiazol-5-ylmethyl N-(3-carbamoyloxypropyl)carbamate
CID 69029657
3-(1,3-Thiazol-5-ylmethoxycarbonylamino)propylcarbamic acid
CID 69258271
1,3-thiazol-5-ylmethyl N-methylcarbamate
CID 89641599
1,3-thiazol-5-ylmethyl N-ethylcarbamate
CID 123862472
(2-Chloro-1,3-thiazol-5-yl)methyl carbamate
CID 126697211
[2-[2-(Dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methyl carbamate
CID 126697424

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid (CID 69304349) is 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid is NC(=O)OCc1cncs1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid?
The InChIKey is XACQIJYEUMGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.C2HF3O2/c6-5(8)9-2-4-1-7-3-10-4;3-2(4,5)1(6)7/h1,3H,2H2,(H2,6,8);(H,6,7).
What are the key properties of 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid?
1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid has a molecular weight of 272.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl carbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69304349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).