3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide

C19H21FN4OS — CID 110307573

IUPAC3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESCc1cc(C(CC(=O)NCCc2csc3ncnn23)C2CC2)ccc1F
InChIInChI=1S/C19H21FN4OS/c1-12-8-14(4-5-17(12)20)16(13-2-3-13)9-18(25)21-7-6-15-10-26-19-22-11-23-24(15)19/h4-5,8,10-11,13,16H,2-3,6-7,9H2,1H3,(H,21,25)
InChIKeyZHHSILBVFBOBEW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.48
Rot. Bonds7

About 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide

3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (PubChem CID 110307573) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
PubChem CID110307573
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESCc1cc(C(CC(=O)NCCc2csc3ncnn23)C2CC2)ccc1F
InChIInChI=1S/C19H21FN4OS/c1-12-8-14(4-5-17(12)20)16(13-2-3-13)9-18(25)21-7-6-15-10-26-19-22-11-23-24(15)19/h4-5,8,10-11,13,16H,2-3,6-7,9H2,1H3,(H,21,25)
InChIKeyZHHSILBVFBOBEW-UHFFFAOYSA-N
XLogP3.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (CID 110307573) is 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is Cc1cc(C(CC(=O)NCCc2csc3ncnn23)C2CC2)ccc1F.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The InChIKey is ZHHSILBVFBOBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-12-8-14(4-5-17(12)20)16(13-2-3-13)9-18(25)21-7-6-15-10-26-19-22-11-23-24(15)19/h4-5,8,10-11,13,16H,2-3,6-7,9H2,1H3,(H,21,25).
What are the key properties of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 110307573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).