N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide

C21H29N3O3S — CID 164617700

IUPACN-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide
SMILESNC[C@H](NC(=O)Cc1ccc(OCC2CCCCC2)cc1)c1ncc(CO)s1
InChIInChI=1S/C21H29N3O3S/c22-11-19(21-23-12-18(13-25)28-21)24-20(26)10-15-6-8-17(9-7-15)27-14-16-4-2-1-3-5-16/h6-9,12,16,19,25H,1-5,10-11,13-14,22H2,(H,24,26)/t19-/m0/s1
InChIKeyDPJQMRDITZLXEO-IBGZPJMESA-N
MW403.55 g/mol
LogP2.95
Rot. Bonds9

About N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide

N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide (PubChem CID 164617700) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide
PubChem CID164617700
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide
SMILESNC[C@H](NC(=O)Cc1ccc(OCC2CCCCC2)cc1)c1ncc(CO)s1
InChIInChI=1S/C21H29N3O3S/c22-11-19(21-23-12-18(13-25)28-21)24-20(26)10-15-6-8-17(9-7-15)27-14-16-4-2-1-3-5-16/h6-9,12,16,19,25H,1-5,10-11,13-14,22H2,(H,24,26)/t19-/m0/s1
InChIKeyDPJQMRDITZLXEO-IBGZPJMESA-N
XLogP2.95
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide?
The IUPAC name of N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide (CID 164617700) is N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide is NC[C@H](NC(=O)Cc1ccc(OCC2CCCCC2)cc1)c1ncc(CO)s1.
What is the InChIKey of N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide?
The InChIKey is DPJQMRDITZLXEO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O3S/c22-11-19(21-23-12-18(13-25)28-21)24-20(26)10-15-6-8-17(9-7-15)27-14-16-4-2-1-3-5-16/h6-9,12,16,19,25H,1-5,10-11,13-14,22H2,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide?
N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide has a molecular weight of 403.55 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide is sourced from PubChem (CID 164617700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).