2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid

C11H17N3O3S — CID 79268319

IUPAC2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid
SMILESCc1nc(N)sc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-6-8(18-10(12)13-6)9(17)14(5-7(15)16)11(2,3)4/h5H2,1-4H3,(H2,12,13)(H,15,16)
InChIKeyZBJOIPOJXXIHLR-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.36
Rot. Bonds3

About 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid

2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid (PubChem CID 79268319) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid
PubChem CID79268319
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid
SMILESCc1nc(N)sc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-6-8(18-10(12)13-6)9(17)14(5-7(15)16)11(2,3)4/h5H2,1-4H3,(H2,12,13)(H,15,16)
InChIKeyZBJOIPOJXXIHLR-UHFFFAOYSA-N
XLogP1.36
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79379584
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid
CID 62794653
1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone
CID 55271804
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 64702479
2-(N-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-chloroanilino)acetic acid
CID 62793630
2-amino-N-cyclopentyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62794073
2-amino-N-(2-methoxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62794301
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55115862
2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 119205538
ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate
CID 62792408

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid (CID 79268319) is 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid is Cc1nc(N)sc1C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid?
The InChIKey is ZBJOIPOJXXIHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6-8(18-10(12)13-6)9(17)14(5-7(15)16)11(2,3)4/h5H2,1-4H3,(H2,12,13)(H,15,16).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid?
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79268319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).