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

C10H12F3N3O3S — CID 47359696

IUPAC2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate
SMILESCc1cnc(NC(=O)CCNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O3S/c1-6-4-15-8(20-6)16-7(17)2-3-14-9(18)19-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyYMGWYCCXGRTWFJ-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.07
Rot. Bonds5

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

2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate (PubChem CID 47359696) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate
PubChem CID47359696
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate
SMILESCc1cnc(NC(=O)CCNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O3S/c1-6-4-15-8(20-6)16-7(17)2-3-14-9(18)19-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyYMGWYCCXGRTWFJ-UHFFFAOYSA-N
XLogP2.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.07
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-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate (CID 47359696) is 2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate is Cc1cnc(NC(=O)CCNC(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate?
The InChIKey is YMGWYCCXGRTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c1-6-4-15-8(20-6)16-7(17)2-3-14-9(18)19-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate?
2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate has a molecular weight of 311.29 g/mol, XLogP of 2.07, 5 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-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 47359696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).