N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide

C15H16F3N3O2S2 — CID 59580862

IUPACN,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide
SMILESCC(CS(C)=O)C(=O)N(C)c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2S2/c1-9(8-25(3)23)13(22)21(2)14-11(15(16,17)18)20-12(24-14)10-5-4-6-19-7-10/h4-7,9H,8H2,1-3H3
InChIKeyYWKOXNKQKSRNSC-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.20
Rot. Bonds5

About N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide

N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide (PubChem CID 59580862) has the molecular formula C15H16F3N3O2S2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide
PubChem CID59580862
Molecular FormulaC15H16F3N3O2S2
Molecular Weight391.44 g/mol
Exact Mass391.06
IUPAC NameN,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide
SMILESCC(CS(C)=O)C(=O)N(C)c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2S2/c1-9(8-25(3)23)13(22)21(2)14-11(15(16,17)18)20-12(24-14)10-5-4-6-19-7-10/h4-7,9H,8H2,1-3H3
InChIKeyYWKOXNKQKSRNSC-UHFFFAOYSA-N
XLogP3.20
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide?
The IUPAC name of N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide (CID 59580862) is N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide.
What is the SMILES notation for N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide?
The canonical SMILES for N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide is CC(CS(C)=O)C(=O)N(C)c1sc(-c2cccnc2)nc1C(F)(F)F.
What is the InChIKey of N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide?
The InChIKey is YWKOXNKQKSRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S2/c1-9(8-25(3)23)13(22)21(2)14-11(15(16,17)18)20-12(24-14)10-5-4-6-19-7-10/h4-7,9H,8H2,1-3H3.
What are the key properties of N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide?
N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide has a molecular weight of 391.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-methylsulfinyl-N-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propanamide is sourced from PubChem (CID 59580862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).