N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide

C17H21N3O2S2 — CID 25283011

IUPACN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1sc(SCC(=O)NC)nc1-c1ccccc1
InChIInChI=1S/C17H21N3O2S2/c1-3-4-10-13(21)19-16-15(12-8-6-5-7-9-12)20-17(24-16)23-11-14(22)18-2/h5-9H,3-4,10-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyAAOWPGROAXFMOT-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.78
Rot. Bonds8

About N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide

N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide (PubChem CID 25283011) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide
PubChem CID25283011
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1sc(SCC(=O)NC)nc1-c1ccccc1
InChIInChI=1S/C17H21N3O2S2/c1-3-4-10-13(21)19-16-15(12-8-6-5-7-9-12)20-17(24-16)23-11-14(22)18-2/h5-9H,3-4,10-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyAAOWPGROAXFMOT-UHFFFAOYSA-N
XLogP3.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide?
The IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide (CID 25283011) is N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide?
The canonical SMILES for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide is CCCCC(=O)Nc1sc(SCC(=O)NC)nc1-c1ccccc1.
What is the InChIKey of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide?
The InChIKey is AAOWPGROAXFMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-3-4-10-13(21)19-16-15(12-8-6-5-7-9-12)20-17(24-16)23-11-14(22)18-2/h5-9H,3-4,10-11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide?
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide has a molecular weight of 363.51 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide is sourced from PubChem (CID 25283011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).