4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C11H16F3N3O2S2 — CID 103349074

IUPAC4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H16F3N3O2S2/c1-6(2)17(5-11(12,13)14)10-8(9(15)16-20-10)21(18,19)7-3-4-7/h6-7H,3-5H2,1-2H3,(H2,15,16)
InChIKeyWWUIBPZPOJGAKE-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.44
Rot. Bonds5

About 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349074) has the molecular formula C11H16F3N3O2S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103349074
Molecular FormulaC11H16F3N3O2S2
Molecular Weight343.40 g/mol
Exact Mass343.06
IUPAC Name4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H16F3N3O2S2/c1-6(2)17(5-11(12,13)14)10-8(9(15)16-20-10)21(18,19)7-3-4-7/h6-7H,3-5H2,1-2H3,(H2,15,16)
InChIKeyWWUIBPZPOJGAKE-UHFFFAOYSA-N
XLogP2.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103349074) is 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CC(C)N(CC(F)(F)F)c1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is WWUIBPZPOJGAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S2/c1-6(2)17(5-11(12,13)14)10-8(9(15)16-20-10)21(18,19)7-3-4-7/h6-7H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 343.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).