(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C18H23N3O2S — CID 99829842

IUPAC(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(CNC(=O)N2CCOC[C@H]2c2nc(C)cs2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-12-4-5-15(13(2)8-12)9-19-18(22)21-6-7-23-10-16(21)17-20-14(3)11-24-17/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeySLTVTACOEDHBHT-INIZCTEOSA-N
MW345.47 g/mol
LogP3.35
Rot. Bonds3

About (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 99829842) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID99829842
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(CNC(=O)N2CCOC[C@H]2c2nc(C)cs2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-12-4-5-15(13(2)8-12)9-19-18(22)21-6-7-23-10-16(21)17-20-14(3)11-24-17/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeySLTVTACOEDHBHT-INIZCTEOSA-N
XLogP3.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829886
(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99830526
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 131960819
(3R)-N-[(3R)-1-ethylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99788458
[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126795570
[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
CID 154779345
2-[(4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carbonyl]benzamide
CID 68670923
(4R)-N-benzoyl-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxamide
CID 68670924
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788583
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 126786163
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 99829842) is (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1ccc(CNC(=O)N2CCOC[C@H]2c2nc(C)cs2)c(C)c1.
What is the InChIKey of (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is SLTVTACOEDHBHT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-4-5-15(13(2)8-12)9-19-18(22)21-6-7-23-10-16(21)17-20-14(3)11-24-17/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99829842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).