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

C12H19F3N4OS — CID 103379704

IUPAC3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H19F3N4OS/c1-6(2)17-10(20)8-9(16)18-21-11(8)19(7(3)4)5-12(13,14)15/h6-7H,5H2,1-4H3,(H2,16,18)(H,17,20)
InChIKeyVXENQGIOMLDQPJ-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.64
Rot. Bonds5

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

3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379704) has the molecular formula C12H19F3N4OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379704
Molecular FormulaC12H19F3N4OS
Molecular Weight324.37 g/mol
Exact Mass324.12
IUPAC Name3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H19F3N4OS/c1-6(2)17-10(20)8-9(16)18-21-11(8)19(7(3)4)5-12(13,14)15/h6-7H,5H2,1-4H3,(H2,16,18)(H,17,20)
InChIKeyVXENQGIOMLDQPJ-UHFFFAOYSA-N
XLogP2.64
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379704) is 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is VXENQGIOMLDQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4OS/c1-6(2)17-10(20)8-9(16)18-21-11(8)19(7(3)4)5-12(13,14)15/h6-7H,5H2,1-4H3,(H2,16,18)(H,17,20).
What are the key properties of 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).