3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C11H17F3N4OS — CID 103379713

IUPAC3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCN(CC(F)(F)F)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C11H17F3N4OS/c1-4-18(5-11(12,13)14)10-7(8(15)17-20-10)9(19)16-6(2)3/h6H,4-5H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyUGROYNAUVPGSCJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.25
Rot. Bonds5

About 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103379713) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103379713
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCN(CC(F)(F)F)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C11H17F3N4OS/c1-4-18(5-11(12,13)14)10-7(8(15)17-20-10)9(19)16-6(2)3/h6H,4-5H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyUGROYNAUVPGSCJ-UHFFFAOYSA-N
XLogP2.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103379713) is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CCN(CC(F)(F)F)c1snc(N)c1C(=O)NC(C)C.
What is the InChIKey of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is UGROYNAUVPGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-4-18(5-11(12,13)14)10-7(8(15)17-20-10)9(19)16-6(2)3/h6H,4-5H2,1-3H3,(H2,15,17)(H,16,19).
What are the key properties of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).