(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide

C20H27N3O2S — CID 147896542

IUPAC(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide
SMILESCc1ccc2nc(CC(=O)CNC(=O)[C@H](N)CC3CCCCC3)sc2c1
InChIInChI=1S/C20H27N3O2S/c1-13-7-8-17-18(9-13)26-19(23-17)11-15(24)12-22-20(25)16(21)10-14-5-3-2-4-6-14/h7-9,14,16H,2-6,10-12,21H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyIDKIIFACLHNEIB-MRXNPFEDSA-N
MW373.52 g/mol
LogP3.13
Rot. Bonds7

About (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide

(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide (PubChem CID 147896542) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide
PubChem CID147896542
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide
SMILESCc1ccc2nc(CC(=O)CNC(=O)[C@H](N)CC3CCCCC3)sc2c1
InChIInChI=1S/C20H27N3O2S/c1-13-7-8-17-18(9-13)26-19(23-17)11-15(24)12-22-20(25)16(21)10-14-5-3-2-4-6-14/h7-9,14,16H,2-6,10-12,21H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyIDKIIFACLHNEIB-MRXNPFEDSA-N
XLogP3.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide 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 (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?
The IUPAC name of (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide (CID 147896542) is (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide is Cc1ccc2nc(CC(=O)CNC(=O)[C@H](N)CC3CCCCC3)sc2c1.
What is the InChIKey of (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?
The InChIKey is IDKIIFACLHNEIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13-7-8-17-18(9-13)26-19(23-17)11-15(24)12-22-20(25)16(21)10-14-5-3-2-4-6-14/h7-9,14,16H,2-6,10-12,21H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?
(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide has a molecular weight of 373.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide is sourced from PubChem (CID 147896542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).