N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide

C19H25N3O2S — CID 124749387

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide
SMILESCOc1cccc([C@H]2CCN2CC(=O)Nc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)16-12-25-18(20-16)21-17(23)11-22-9-8-15(22)13-6-5-7-14(10-13)24-4/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,20,21,23)/t15-/m1/s1
InChIKeyAMCWCXNWFAIDJM-OAHLLOKOSA-N
MW359.50 g/mol
LogP3.83
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide (PubChem CID 124749387) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide
PubChem CID124749387
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide
SMILESCOc1cccc([C@H]2CCN2CC(=O)Nc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)16-12-25-18(20-16)21-17(23)11-22-9-8-15(22)13-6-5-7-14(10-13)24-4/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,20,21,23)/t15-/m1/s1
InChIKeyAMCWCXNWFAIDJM-OAHLLOKOSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide (CID 124749387) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide is COc1cccc([C@H]2CCN2CC(=O)Nc2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide?
The InChIKey is AMCWCXNWFAIDJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-19(2,3)16-12-25-18(20-16)21-17(23)11-22-9-8-15(22)13-6-5-7-14(10-13)24-4/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide is sourced from PubChem (CID 124749387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).