[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

C14H14ClN3O2S — CID 59457497

IUPAC[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(Cl)nc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C14H14ClN3O2S/c1-9-12(14(19)18-4-6-20-7-5-18)21-13(17-9)10-2-3-11(15)16-8-10/h2-3,8H,4-7H2,1H3
InChIKeyCGIFWHONCCSQNL-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.64
Rot. Bonds2

About [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 59457497) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID59457497
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(Cl)nc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C14H14ClN3O2S/c1-9-12(14(19)18-4-6-20-7-5-18)21-13(17-9)10-2-3-11(15)16-8-10/h2-3,8H,4-7H2,1H3
InChIKeyCGIFWHONCCSQNL-UHFFFAOYSA-N
XLogP2.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491382
[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 59457474
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507288
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 51032954
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 27661495
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338506
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
CID 20889810
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (CID 59457497) is [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is Cc1nc(-c2ccc(Cl)nc2)sc1C(=O)N1CCOCC1.
What is the InChIKey of [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is CGIFWHONCCSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-9-12(14(19)18-4-6-20-7-5-18)21-13(17-9)10-2-3-11(15)16-8-10/h2-3,8H,4-7H2,1H3.
What are the key properties of [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 323.81 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59457497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).