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

C10H15F3N4OS — CID 103379594

IUPAC3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c1-5(2)15-8(18)6-7(14)16-19-9(6)17(3)4-10(11,12)13/h5H,4H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyLBVYBEXYFNMQNB-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.86
Rot. Bonds4

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

3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103379594) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103379594
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c1-5(2)15-8(18)6-7(14)16-19-9(6)17(3)4-10(11,12)13/h5H,4H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyLBVYBEXYFNMQNB-UHFFFAOYSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103379594) is 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is LBVYBEXYFNMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-5(2)15-8(18)6-7(14)16-19-9(6)17(3)4-10(11,12)13/h5H,4H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).