N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide

C15H19N3O2S — CID 166302268

IUPACN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cccc2nc(C)sc12)C(N)=O
InChIInChI=1S/C15H19N3O2S/c1-4-8(2)12(14(16)19)18-15(20)10-6-5-7-11-13(10)21-9(3)17-11/h5-8,12H,4H2,1-3H3,(H2,16,19)(H,18,20)/t8-,12-/m0/s1
InChIKeyAGIZMYSENIBXLQ-UFBFGSQYSA-N
MW305.40 g/mol
LogP2.23
Rot. Bonds5

About N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide

N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide (PubChem CID 166302268) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide
PubChem CID166302268
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1cccc2nc(C)sc12)C(N)=O
InChIInChI=1S/C15H19N3O2S/c1-4-8(2)12(14(16)19)18-15(20)10-6-5-7-11-13(10)21-9(3)17-11/h5-8,12H,4H2,1-3H3,(H2,16,19)(H,18,20)/t8-,12-/m0/s1
InChIKeyAGIZMYSENIBXLQ-UFBFGSQYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide with MolForge

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Related Compounds

N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 95571150
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 78887382
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2,3-dihydroxybenzamide
CID 103187229
2-ethoxy-1,3-benzothiazole-7-carboxylic acid
CID 119086424
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
2-methyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide
CID 3348952
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide (CID 166302268) is N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide is CC[C@H](C)[C@H](NC(=O)c1cccc2nc(C)sc12)C(N)=O.
What is the InChIKey of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide?
The InChIKey is AGIZMYSENIBXLQ-UFBFGSQYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-8(2)12(14(16)19)18-15(20)10-6-5-7-11-13(10)21-9(3)17-11/h5-8,12H,4H2,1-3H3,(H2,16,19)(H,18,20)/t8-,12-/m0/s1.
What are the key properties of N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide?
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 166302268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).