N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide

C14H23N3O2S — CID 167965443

IUPACN-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCCC(C)(C)CNC(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C14H23N3O2S/c1-4-14(2,3)10-16-13(18)17-6-7-19-11(9-17)12-15-5-8-20-12/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyNGWPVFYQWMLNST-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.66
Rot. Bonds4

About N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide

N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 167965443) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID167965443
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCCC(C)(C)CNC(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C14H23N3O2S/c1-4-14(2,3)10-16-13(18)17-6-7-19-11(9-17)12-15-5-8-20-12/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyNGWPVFYQWMLNST-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-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-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 75509283
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624197
(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide
CID 99697628
6-ethyl-5-methyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167845537
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124699789
[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 119874237
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 128762194

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 167965443) is N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide is CCC(C)(C)CNC(=O)N1CCOC(c2nccs2)C1.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is NGWPVFYQWMLNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-14(2,3)10-16-13(18)17-6-7-19-11(9-17)12-15-5-8-20-12/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 167965443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).