[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C16H17ClN2O2S — CID 124993426

IUPAC[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCO[C@H](Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN2O2S/c1-11-15(22-10-18-11)16(20)19-5-6-21-14(9-19)8-12-3-2-4-13(17)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3/t14-/m1/s1
InChIKeyPXOPWEAFAPGRNS-CQSZACIVSA-N
MW336.84 g/mol
LogP3.19
Rot. Bonds3

About [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 124993426) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID124993426
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCO[C@H](Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN2O2S/c1-11-15(22-10-18-11)16(20)19-5-6-21-14(9-19)8-12-3-2-4-13(17)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3/t14-/m1/s1
InChIKeyPXOPWEAFAPGRNS-CQSZACIVSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 102604292
[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 102604264
[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127250799
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
4-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844658
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940
[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95831640

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 124993426) is [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCO[C@H](Cc2cccc(Cl)c2)C1.
What is the InChIKey of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is PXOPWEAFAPGRNS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-11-15(22-10-18-11)16(20)19-5-6-21-14(9-19)8-12-3-2-4-13(17)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 336.84 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124993426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).