[2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

C16H24N2O2S2 — CID 45243945

IUPAC[2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCOC(CC3CCCCC3)C2)cs1
InChIInChI=1S/C16H24N2O2S2/c1-21-16-17-14(11-22-16)15(19)18-7-8-20-13(10-18)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyCXVKVBUIKBFKMZ-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.68
Rot. Bonds4

About [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

[2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (PubChem CID 45243945) has the molecular formula C16H24N2O2S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
PubChem CID45243945
Molecular FormulaC16H24N2O2S2
Molecular Weight340.51 g/mol
Exact Mass340.13
IUPAC Name[2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCOC(CC3CCCCC3)C2)cs1
InChIInChI=1S/C16H24N2O2S2/c1-21-16-17-14(11-22-16)15(19)18-7-8-20-13(10-18)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyCXVKVBUIKBFKMZ-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (CID 45243945) is [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is CSc1nc(C(=O)N2CCOC(CC3CCCCC3)C2)cs1.
What is the InChIKey of [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The InChIKey is CXVKVBUIKBFKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S2/c1-21-16-17-14(11-22-16)15(19)18-7-8-20-13(10-18)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3.
What are the key properties of [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
[2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone has a molecular weight of 340.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)morpholin-4-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 45243945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).