(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C16H19N3O3S — CID 95127937

IUPAC(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1cccc(OC2CN([C@@H](C)C(=O)Nc3nccs3)C2)c1
InChIInChI=1S/C16H19N3O3S/c1-11(15(20)18-16-17-6-7-23-16)19-9-14(10-19)22-13-5-3-4-12(8-13)21-2/h3-8,11,14H,9-10H2,1-2H3,(H,17,18,20)/t11-/m0/s1
InChIKeyQRKHVBCCJLSKCJ-NSHDSACASA-N
MW333.41 g/mol
LogP2.24
Rot. Bonds6

About (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95127937) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95127937
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1cccc(OC2CN([C@@H](C)C(=O)Nc3nccs3)C2)c1
InChIInChI=1S/C16H19N3O3S/c1-11(15(20)18-16-17-6-7-23-16)19-9-14(10-19)22-13-5-3-4-12(8-13)21-2/h3-8,11,14H,9-10H2,1-2H3,(H,17,18,20)/t11-/m0/s1
InChIKeyQRKHVBCCJLSKCJ-NSHDSACASA-N
XLogP2.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 95127937) is (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is COc1cccc(OC2CN([C@@H](C)C(=O)Nc3nccs3)C2)c1.
What is the InChIKey of (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QRKHVBCCJLSKCJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11(15(20)18-16-17-6-7-23-16)19-9-14(10-19)22-13-5-3-4-12(8-13)21-2/h3-8,11,14H,9-10H2,1-2H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95127937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).