2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C9H12F3N3O2S2 — CID 63946611

IUPAC2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3N3O2S2/c1-5-7(18-8(13)14-5)19(16,17)15(6-2-3-6)4-9(10,11)12/h6H,2-4H2,1H3,(H2,13,14)
InChIKeyPXPSDMUBDADZIA-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63946611) has the molecular formula C9H12F3N3O2S2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID63946611
Molecular FormulaC9H12F3N3O2S2
Molecular Weight315.34 g/mol
Exact Mass315.03
IUPAC Name2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3N3O2S2/c1-5-7(18-8(13)14-5)19(16,17)15(6-2-3-6)4-9(10,11)12/h6H,2-4H2,1H3,(H2,13,14)
InChIKeyPXPSDMUBDADZIA-UHFFFAOYSA-N
XLogP1.75
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 63946611) is 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is PXPSDMUBDADZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S2/c1-5-7(18-8(13)14-5)19(16,17)15(6-2-3-6)4-9(10,11)12/h6H,2-4H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 315.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).