3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide

C19H17F3N4O3S2 — CID 172728468

IUPAC3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
SMILESCc1cnc(-c2cccc(C(=O)NCCc3nnc(C(F)(F)F)s3)c2OC2CCO2)s1
InChIInChI=1S/C19H17F3N4O3S2/c1-10-9-24-17(30-10)12-4-2-3-11(15(12)29-14-6-8-28-14)16(27)23-7-5-13-25-26-18(31-13)19(20,21)22/h2-4,9,14H,5-8H2,1H3,(H,23,27)
InChIKeyHLUSTMKDLIIZMH-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.09
Rot. Bonds7

About 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide

3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide (PubChem CID 172728468) has the molecular formula C19H17F3N4O3S2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
PubChem CID172728468
Molecular FormulaC19H17F3N4O3S2
Molecular Weight470.50 g/mol
Exact Mass470.07
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
SMILESCc1cnc(-c2cccc(C(=O)NCCc3nnc(C(F)(F)F)s3)c2OC2CCO2)s1
InChIInChI=1S/C19H17F3N4O3S2/c1-10-9-24-17(30-10)12-4-2-3-11(15(12)29-14-6-8-28-14)16(27)23-7-5-13-25-26-18(31-13)19(20,21)22/h2-4,9,14H,5-8H2,1H3,(H,23,27)
InChIKeyHLUSTMKDLIIZMH-UHFFFAOYSA-N
XLogP4.09
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide (CID 172728468) is 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide is Cc1cnc(-c2cccc(C(=O)NCCc3nnc(C(F)(F)F)s3)c2OC2CCO2)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The InChIKey is HLUSTMKDLIIZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S2/c1-10-9-24-17(30-10)12-4-2-3-11(15(12)29-14-6-8-28-14)16(27)23-7-5-13-25-26-18(31-13)19(20,21)22/h2-4,9,14H,5-8H2,1H3,(H,23,27).
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide has a molecular weight of 470.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-2-yl)-2-(oxetan-2-yloxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 172728468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).