2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate

C14H20F3N3O3S — CID 52860974

IUPAC2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate
SMILESCCc1nc(CCNC(=O)CCNC(=O)OCC(F)(F)F)sc1C
InChIInChI=1S/C14H20F3N3O3S/c1-3-10-9(2)24-12(20-10)5-7-18-11(21)4-6-19-13(22)23-8-14(15,16)17/h3-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXWZPTAQAVQZPFZ-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.35
Rot. Bonds8

About 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate

2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate (PubChem CID 52860974) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate
PubChem CID52860974
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate
SMILESCCc1nc(CCNC(=O)CCNC(=O)OCC(F)(F)F)sc1C
InChIInChI=1S/C14H20F3N3O3S/c1-3-10-9(2)24-12(20-10)5-7-18-11(21)4-6-19-13(22)23-8-14(15,16)17/h3-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXWZPTAQAVQZPFZ-UHFFFAOYSA-N
XLogP2.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate (CID 52860974) is 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate is CCc1nc(CCNC(=O)CCNC(=O)OCC(F)(F)F)sc1C.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate?
The InChIKey is XWZPTAQAVQZPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-3-10-9(2)24-12(20-10)5-7-18-11(21)4-6-19-13(22)23-8-14(15,16)17/h3-8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate?
2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate has a molecular weight of 367.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 52860974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).