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

C11H17F3N4OS — CID 103382167

IUPAC3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)CCC(F)(F)F
InChIInChI=1S/C11H17F3N4OS/c1-6(2)16-9(19)7-8(15)17-20-10(7)18(3)5-4-11(12,13)14/h6H,4-5H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyWWPZVEVDJDFJAU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.25
Rot. Bonds5

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

3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103382167) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103382167
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)CCC(F)(F)F
InChIInChI=1S/C11H17F3N4OS/c1-6(2)16-9(19)7-8(15)17-20-10(7)18(3)5-4-11(12,13)14/h6H,4-5H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyWWPZVEVDJDFJAU-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-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103382167) is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N(C)CCC(F)(F)F.
What is the InChIKey of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is WWPZVEVDJDFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-6(2)16-9(19)7-8(15)17-20-10(7)18(3)5-4-11(12,13)14/h6H,4-5H2,1-3H3,(H2,15,17)(H,16,19).
What are the key properties of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl(3,3,3-trifluoropropyl)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-[methyl(3,3,3-trifluoropropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).