(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide

C14H19N3OS — CID 119317979

IUPAC(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1
InChIInChI=1S/C14H19N3OS/c1-8(15)12(18)16-9-5-6-10-11(7-9)19-13(17-10)14(2,3)4/h5-8H,15H2,1-4H3,(H,16,18)/t8-/m0/s1
InChIKeyGOKCJWGCNQAIPG-QMMMGPOBSA-N
MW277.39 g/mol
LogP2.88
Rot. Bonds2

About (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide

(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 119317979) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID119317979
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1
InChIInChI=1S/C14H19N3OS/c1-8(15)12(18)16-9-5-6-10-11(7-9)19-13(17-10)14(2,3)4/h5-8H,15H2,1-4H3,(H,16,18)/t8-/m0/s1
InChIKeyGOKCJWGCNQAIPG-QMMMGPOBSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119317982
2-(4-aminophenyl)-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide
CID 119773991
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 119317985
[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]carbamic acid
CID 138505851
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119774008
1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol
CID 84698997
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-amino-3-methylbutanamide;hydrochloride
CID 119277664

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide (CID 119317979) is (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide is C[C@H](N)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1.
What is the InChIKey of (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is GOKCJWGCNQAIPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-8(15)12(18)16-9-5-6-10-11(7-9)19-13(17-10)14(2,3)4/h5-8H,15H2,1-4H3,(H,16,18)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide?
(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 277.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 119317979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).