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

C14H14F3N3OS — CID 71983774

IUPACN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)CCc1cccnc1
InChIInChI=1S/C14H14F3N3OS/c1-20(8-12-19-11(9-22-12)14(15,16)17)13(21)5-4-10-3-2-6-18-7-10/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyUSLSIYGTWZHVPV-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.15
Rot. Bonds5

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

N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide (PubChem CID 71983774) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
PubChem CID71983774
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)CCc1cccnc1
InChIInChI=1S/C14H14F3N3OS/c1-20(8-12-19-11(9-22-12)14(15,16)17)13(21)5-4-10-3-2-6-18-7-10/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyUSLSIYGTWZHVPV-UHFFFAOYSA-N
XLogP3.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The IUPAC name of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide (CID 71983774) is N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The canonical SMILES for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)CCc1cccnc1.
What is the InChIKey of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The InChIKey is USLSIYGTWZHVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-20(8-12-19-11(9-22-12)14(15,16)17)13(21)5-4-10-3-2-6-18-7-10/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide has a molecular weight of 329.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 71983774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).