(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C16H25N3O3S — CID 124738342

IUPAC(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3CCO)CCO2)n1
InChIInChI=1S/C16H25N3O3S/c1-11-10-23-15(17-11)14-9-19(6-8-22-14)16(21)18-13-4-2-3-12(13)5-7-20/h10,12-14,20H,2-9H2,1H3,(H,18,21)/t12-,13+,14+/m1/s1
InChIKeyQSVRYZYLKSWVCN-RDBSUJKOSA-N
MW339.46 g/mol
LogP2.09
Rot. Bonds4

About (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 124738342) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID124738342
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3CCO)CCO2)n1
InChIInChI=1S/C16H25N3O3S/c1-11-10-23-15(17-11)14-9-19(6-8-22-14)16(21)18-13-4-2-3-12(13)5-7-20/h10,12-14,20H,2-9H2,1H3,(H,18,21)/t12-,13+,14+/m1/s1
InChIKeyQSVRYZYLKSWVCN-RDBSUJKOSA-N
XLogP2.09
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100745557
(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124627295
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 136540841
(2S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100752575
(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129359010
[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126799769
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
N-(furan-2-ylmethyl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95137604

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 124738342) is (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3CCO)CCO2)n1.
What is the InChIKey of (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is QSVRYZYLKSWVCN-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-10-23-15(17-11)14-9-19(6-8-22-14)16(21)18-13-4-2-3-12(13)5-7-20/h10,12-14,20H,2-9H2,1H3,(H,18,21)/t12-,13+,14+/m1/s1.
What are the key properties of (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 124738342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).