[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate

C21H20N2O3S — CID 7276658

IUPAC[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H20N2O3S/c1-13(26-21(25)15-9-10-18-19(11-15)27-12-22-18)20(24)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-13,17H,4,6,8H2,1H3,(H,23,24)/t13-,17-/m1/s1
InChIKeyHXGFAOJZMPAPKM-CXAGYDPISA-N
MW380.47 g/mol
LogP4.04
Rot. Bonds4

About [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate

[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate (PubChem CID 7276658) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate
PubChem CID7276658
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H20N2O3S/c1-13(26-21(25)15-9-10-18-19(11-15)27-12-22-18)20(24)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-13,17H,4,6,8H2,1H3,(H,23,24)/t13-,17-/m1/s1
InChIKeyHXGFAOJZMPAPKM-CXAGYDPISA-N
XLogP4.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] quinoxaline-6-carboxylate
CID 7677000
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-bromobenzoate
CID 7478045
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-fluorobenzoate
CID 16524078
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-hydroxybenzoate
CID 7777208
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-(2-methylpropoxy)benzoate
CID 7210775
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 6-chloropyridine-3-carboxylate
CID 42900709
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dichlorobenzoate
CID 7724282
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-nitrobenzoate
CID 7476719
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-nitrobenzoate
CID 7476717
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 24980828
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 16505631
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dimethoxybenzoate
CID 7727228

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate (CID 7276658) is [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate is C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate?
The InChIKey is HXGFAOJZMPAPKM-CXAGYDPISA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13(26-21(25)15-9-10-18-19(11-15)27-12-22-18)20(24)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-13,17H,4,6,8H2,1H3,(H,23,24)/t13-,17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate?
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 7276658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).