(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C16H25N3O2S — CID 97109668

IUPAC(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)s1
InChIInChI=1S/C16H25N3O2S/c1-13-17-12-15(22-13)16(20)19-6-3-2-4-14(19)5-7-18-8-10-21-11-9-18/h12,14H,2-11H2,1H3/t14-/m0/s1
InChIKeyZLGNHZDGYZDQCF-AWEZNQCLSA-N
MW323.46 g/mol
LogP2.17
Rot. Bonds4

About (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 97109668) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID97109668
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)s1
InChIInChI=1S/C16H25N3O2S/c1-13-17-12-15(22-13)16(20)19-6-3-2-4-14(19)5-7-18-8-10-21-11-9-18/h12,14H,2-11H2,1H3/t14-/m0/s1
InChIKeyZLGNHZDGYZDQCF-AWEZNQCLSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1,3-Thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 134791077
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 75386298
N-[(3R)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237830
N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237831
[(2S,4R)-4-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 132375332
N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 71856475
(2-Methyl-5-thiazolyl)-1-piperidinylmethanone
CID 23311721
(9-(9-Hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-5-yl)methanone
CID 57989099
(2-Isopropylthiazol-5-yl)(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 57989156
tert-Butyl 4-(2-isopropylthiazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 57989386
(2-Bromothiazol-5-yl)(morpholino)methanone
CID 67110494

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 97109668) is (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is ZLGNHZDGYZDQCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13-17-12-15(22-13)16(20)19-6-3-2-4-14(19)5-7-18-8-10-21-11-9-18/h12,14H,2-11H2,1H3/t14-/m0/s1.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 323.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97109668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).