(2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C16H25N3O2S — CID 48593848

IUPAC(2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(CN3CCOCC3)CC2)s1
InChIInChI=1S/C16H25N3O2S/c1-2-15-17-11-14(22-15)16(20)19-5-3-13(4-6-19)12-18-7-9-21-10-8-18/h11,13H,2-10,12H2,1H3
InChIKeyRSURVAKQRUSLII-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.89
Rot. Bonds4

About (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 48593848) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID48593848
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(CN3CCOCC3)CC2)s1
InChIInChI=1S/C16H25N3O2S/c1-2-15-17-11-14(22-15)16(20)19-5-3-13(4-6-19)12-18-7-9-21-10-8-18/h11,13H,2-10,12H2,1H3
InChIKeyRSURVAKQRUSLII-UHFFFAOYSA-N
XLogP1.89
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 48593848) is (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC(CN3CCOCC3)CC2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RSURVAKQRUSLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-15-17-11-14(22-15)16(20)19-5-3-13(4-6-19)12-18-7-9-21-10-8-18/h11,13H,2-10,12H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 323.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 48593848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).