(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide

C16H19N3O2S — CID 99715252

IUPAC(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-8-19(14(11)12-6-4-3-5-7-12)16(20)18-15-17-13(9-21-2)10-22-15/h3-7,10-11,14H,8-9H2,1-2H3,(H,17,18,20)/t11-,14-/m1/s1
InChIKeySQECJIZRJPPUDA-BXUZGUMPSA-N
MW317.41 g/mol
LogP3.51
Rot. Bonds4

About (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide

(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide (PubChem CID 99715252) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
PubChem CID99715252
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-8-19(14(11)12-6-4-3-5-7-12)16(20)18-15-17-13(9-21-2)10-22-15/h3-7,10-11,14H,8-9H2,1-2H3,(H,17,18,20)/t11-,14-/m1/s1
InChIKeySQECJIZRJPPUDA-BXUZGUMPSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 75464257
(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 125139334
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
CID 99833695
(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97009956
3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 131963807
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 71991764
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
CID 86622750
N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95371996

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide?
The IUPAC name of (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide (CID 99715252) is (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide?
The canonical SMILES for (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide is COCc1csc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1.
What is the InChIKey of (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide?
The InChIKey is SQECJIZRJPPUDA-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-8-19(14(11)12-6-4-3-5-7-12)16(20)18-15-17-13(9-21-2)10-22-15/h3-7,10-11,14H,8-9H2,1-2H3,(H,17,18,20)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide?
(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 99715252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).