(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide

C12H17F2N3O2S — CID 99785914

IUPAC(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
SMILESCCc1cnc(NC(=O)[C@@H]2COCCN2CC(F)F)s1
InChIInChI=1S/C12H17F2N3O2S/c1-2-8-5-15-12(20-8)16-11(18)9-7-19-4-3-17(9)6-10(13)14/h5,9-10H,2-4,6-7H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeyMMAQMKOIBDLWPL-VIFPVBQESA-N
MW305.35 g/mol
LogP1.61
Rot. Bonds5

About (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide

(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide (PubChem CID 99785914) has the molecular formula C12H17F2N3O2S and a molecular weight of 305.35 g/mol. Its IUPAC name is (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
PubChem CID99785914
Molecular FormulaC12H17F2N3O2S
Molecular Weight305.35 g/mol
Exact Mass305.10
IUPAC Name(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
SMILESCCc1cnc(NC(=O)[C@@H]2COCCN2CC(F)F)s1
InChIInChI=1S/C12H17F2N3O2S/c1-2-8-5-15-12(20-8)16-11(18)9-7-19-4-3-17(9)6-10(13)14/h5,9-10H,2-4,6-7H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeyMMAQMKOIBDLWPL-VIFPVBQESA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 119755286
(3S)-4-(2,2-difluoroethyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)morpholine-3-carboxamide
CID 99827106
N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126795862
4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide
CID 136538734
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 166218577
N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide
CID 166254325
N-(5-ethyl-1,3-thiazol-2-yl)azetidine-3-carboxamide;hydrochloride
CID 130678944
N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
CID 83101761
4-(2,2-difluoroethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]morpholine-3-carboxamide
CID 126769612
N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide
CID 96996719
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The IUPAC name of (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide (CID 99785914) is (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide is CCc1cnc(NC(=O)[C@@H]2COCCN2CC(F)F)s1.
What is the InChIKey of (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The InChIKey is MMAQMKOIBDLWPL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F2N3O2S/c1-2-8-5-15-12(20-8)16-11(18)9-7-19-4-3-17(9)6-10(13)14/h5,9-10H,2-4,6-7H2,1H3,(H,15,16,18)/t9-/m0/s1.
What are the key properties of (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 99785914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).