N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H27N3O3S — CID 110128285

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)cs1
InChIInChI=1S/C17H27N3O3S/c1-12-18-13(11-24-12)10-16(21)19-14-4-2-3-5-15(17(14)22)20-6-8-23-9-7-20/h11,14-15,17,22H,2-10H2,1H3,(H,19,21)/t14-,15-,17-/m1/s1
InChIKeyHJKVSOYHBMCLCB-BFYDXBDKSA-N
MW353.49 g/mol
LogP1.11
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 110128285) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID110128285
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)cs1
InChIInChI=1S/C17H27N3O3S/c1-12-18-13(11-24-12)10-16(21)19-14-4-2-3-5-15(17(14)22)20-6-8-23-9-7-20/h11,14-15,17,22H,2-10H2,1H3,(H,19,21)/t14-,15-,17-/m1/s1
InChIKeyHJKVSOYHBMCLCB-BFYDXBDKSA-N
XLogP1.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide 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-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110127670
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid
CID 163341528
N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56896056
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide
CID 110128279
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
1-[(1R,2S)-2-methylcyclohexyl]-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8746786
N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71856476
N-[(1R,2R)-2-morpholin-4-ylcyclopropyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 154760893
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 110128285) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)cs1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HJKVSOYHBMCLCB-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-18-13(11-24-12)10-16(21)19-14-4-2-3-5-15(17(14)22)20-6-8-23-9-7-20/h11,14-15,17,22H,2-10H2,1H3,(H,19,21)/t14-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110128285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).