N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C14H21N3O3S — CID 56714322

IUPACN-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(=O)N1CCOC(CNC(=O)c2nc(C(C)C)cs2)C1
InChIInChI=1S/C14H21N3O3S/c1-9(2)12-8-21-14(16-12)13(19)15-6-11-7-17(10(3)18)4-5-20-11/h8-9,11H,4-7H2,1-3H3,(H,15,19)
InChIKeyRCTBMHZOAOBAMI-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.24
Rot. Bonds4

About N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 56714322) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID56714322
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(=O)N1CCOC(CNC(=O)c2nc(C(C)C)cs2)C1
InChIInChI=1S/C14H21N3O3S/c1-9(2)12-8-21-14(16-12)13(19)15-6-11-7-17(10(3)18)4-5-20-11/h8-9,11H,4-7H2,1-3H3,(H,15,19)
InChIKeyRCTBMHZOAOBAMI-UHFFFAOYSA-N
XLogP1.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-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

1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125163832
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 56750091
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125161657
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
CID 126423943
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 110246586
1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 97195476
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 56714322) is N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(=O)N1CCOC(CNC(=O)c2nc(C(C)C)cs2)C1.
What is the InChIKey of N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is RCTBMHZOAOBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9(2)12-8-21-14(16-12)13(19)15-6-11-7-17(10(3)18)4-5-20-11/h8-9,11H,4-7H2,1-3H3,(H,15,19).
What are the key properties of N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 56714322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).