(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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Related Compounds

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 43869921
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 136577902
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide
CID 124851882
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71878628

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).