2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide

C10H12F3N3OS — CID 79805722

IUPAC2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1nc(C2CC2)cs1)C(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c1-9(14,10(11,12)13)7(17)16-8-15-6(4-18-8)5-2-3-5/h4-5H,2-3,14H2,1H3,(H,15,16,17)
InChIKeyANMCHKLXBZEQRJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79805722) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79805722
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1nc(C2CC2)cs1)C(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c1-9(14,10(11,12)13)7(17)16-8-15-6(4-18-8)5-2-3-5/h4-5H,2-3,14H2,1H3,(H,15,16,17)
InChIKeyANMCHKLXBZEQRJ-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79805722) is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1nc(C2CC2)cs1)C(F)(F)F.
What is the InChIKey of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is ANMCHKLXBZEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-9(14,10(11,12)13)7(17)16-8-15-6(4-18-8)5-2-3-5/h4-5H,2-3,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 279.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79805722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).