(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

C19H25N5O2S — CID 59579892

IUPAC(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H25N5O2S/c1-2-15-16(27-18(22-15)17-20-6-3-7-21-17)19(25)24-8-4-14(5-9-24)23-10-12-26-13-11-23/h3,6-7,14H,2,4-5,8-13H2,1H3
InChIKeyZGFKNQSAWHRKCV-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.10
Rot. Bonds4

About (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 59579892) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID59579892
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H25N5O2S/c1-2-15-16(27-18(22-15)17-20-6-3-7-21-17)19(25)24-8-4-14(5-9-24)23-10-12-26-13-11-23/h3,6-7,14H,2,4-5,8-13H2,1H3
InChIKeyZGFKNQSAWHRKCV-UHFFFAOYSA-N
XLogP2.10
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 59579892) is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is CCc1nc(-c2ncccn2)sc1C(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZGFKNQSAWHRKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-2-15-16(27-18(22-15)17-20-6-3-7-21-17)19(25)24-8-4-14(5-9-24)23-10-12-26-13-11-23/h3,6-7,14H,2,4-5,8-13H2,1H3.
What are the key properties of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 387.51 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59579892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).