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

C12H19F3N4OS — CID 116664521

IUPAC4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C12H19F3N4OS/c1-4-6-19(7-12(13,14)15)10(20)8-9(16)17-11(21-8)18(3)5-2/h4-7,16H2,1-3H3
InChIKeyIDFVXJNSMPJLEB-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.60
Rot. Bonds6

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

4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116664521) has the molecular formula C12H19F3N4OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID116664521
Molecular FormulaC12H19F3N4OS
Molecular Weight324.37 g/mol
Exact Mass324.12
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C12H19F3N4OS/c1-4-6-19(7-12(13,14)15)10(20)8-9(16)17-11(21-8)18(3)5-2/h4-7,16H2,1-3H3
InChIKeyIDFVXJNSMPJLEB-UHFFFAOYSA-N
XLogP2.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 116664521) is 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CCCN(CC(F)(F)F)C(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IDFVXJNSMPJLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4OS/c1-4-6-19(7-12(13,14)15)10(20)8-9(16)17-11(21-8)18(3)5-2/h4-7,16H2,1-3H3.
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).