N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide

C19H19F3N6O2S — CID 155230432

IUPACN-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(C)c1cc(C(F)(F)F)cnc1Nc1nc(-c2cc(OC(C)C)ccn2)ns1
InChIInChI=1S/C19H19F3N6O2S/c1-10(2)30-13-5-6-23-14(8-13)16-25-18(31-27-16)26-17-15(28(4)11(3)29)7-12(9-24-17)19(20,21)22/h5-10H,1-4H3,(H,24,25,26,27)
InChIKeyJOWOMOWJXWPULA-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.53
Rot. Bonds6

About N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide

N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 155230432) has the molecular formula C19H19F3N6O2S and a molecular weight of 452.46 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID155230432
Molecular FormulaC19H19F3N6O2S
Molecular Weight452.46 g/mol
Exact Mass452.12
IUPAC NameN-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(C)c1cc(C(F)(F)F)cnc1Nc1nc(-c2cc(OC(C)C)ccn2)ns1
InChIInChI=1S/C19H19F3N6O2S/c1-10(2)30-13-5-6-23-14(8-13)16-25-18(31-27-16)26-17-15(28(4)11(3)29)7-12(9-24-17)19(20,21)22/h5-10H,1-4H3,(H,24,25,26,27)
InChIKeyJOWOMOWJXWPULA-UHFFFAOYSA-N
XLogP4.53
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 155230432) is N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide is CC(=O)N(C)c1cc(C(F)(F)F)cnc1Nc1nc(-c2cc(OC(C)C)ccn2)ns1.
What is the InChIKey of N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is JOWOMOWJXWPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2S/c1-10(2)30-13-5-6-23-14(8-13)16-25-18(31-27-16)26-17-15(28(4)11(3)29)7-12(9-24-17)19(20,21)22/h5-10H,1-4H3,(H,24,25,26,27).
What are the key properties of N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 452.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[3-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 155230432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).