(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

C15H19N3O2S — CID 142455045

IUPAC(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(N)=O
InChIInChI=1S/C15H19N3O2S/c1-8(2)10-4-5-11-13(6-10)21-14(18-11)7-12(15(16)20)17-9(3)19/h4-6,8,12H,7H2,1-3H3,(H2,16,20)(H,17,19)/t12-/m0/s1
InChIKeyPZIUIMQKSOYDAI-LBPRGKRZSA-N
MW305.40 g/mol
LogP1.95
Rot. Bonds5

About (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 142455045) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
PubChem CID142455045
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(N)=O
InChIInChI=1S/C15H19N3O2S/c1-8(2)10-4-5-11-13(6-10)21-14(18-11)7-12(15(16)20)17-9(3)19/h4-6,8,12H,7H2,1-3H3,(H2,16,20)(H,17,19)/t12-/m0/s1
InChIKeyPZIUIMQKSOYDAI-LBPRGKRZSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 135350796
(2S)-2-acetamido-N-[(2S,3S)-1-azido-3-methylpentan-2-yl]-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 135347858
(2R,5S,6S)-5-[[(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoyl]amino]-2-(4-aminobutyl)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-methyl-4-oxooctanamide
CID 158261618
(2S)-N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-2-formamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 135347933
N-[(2S)-1-[[(1S)-2-amino-1-cyclohexylethyl]amino]-1-oxo-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpropanamide
CID 171991119
(E)-N-[(2S)-2-[[(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoyl]amino]-3-phenylpropyl]-4-piperidin-1-ylbut-2-enamide
CID 142454449
N-(2-aminoethyl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide;ethane;4-methylpentanamide
CID 142442628
2-amino-N-(1-azido-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 135350701
N-[2-[[(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoyl]amino]-3-cyclohexylpropyl]-2-[(4-methylpiperazin-1-yl)methyl]prop-2-enamide
CID 167016872
2-cyano-N-[(2S)-3-phenyl-2-[[(2S)-2-(propanoylamino)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoyl]amino]propyl]propanamide
CID 167016777
2-(propanoylamino)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)-N-[1-(prop-2-enoylamino)-3-pyridin-4-ylpropan-2-yl]propanamide
CID 135350674
(E)-4-(dimethylamino)-N-[3-phenyl-2-[[2-(propanoylamino)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoyl]amino]propyl]but-2-enamide
CID 135350720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (CID 142455045) is (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is CC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is PZIUIMQKSOYDAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8(2)10-4-5-11-13(6-10)21-14(18-11)7-12(15(16)20)17-9(3)19/h4-6,8,12H,7H2,1-3H3,(H2,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
(2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 142455045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).