2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C12H12N4O3S — CID 119187616

IUPAC2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)c1cnc(-c2ncccn2)s1)C(=O)O
InChIInChI=1S/C12H12N4O3S/c1-12(2,11(18)19)16-9(17)7-6-15-10(20-7)8-13-4-3-5-14-8/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyYCWNMCHPOUKKPX-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.19
Rot. Bonds4

About 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid

2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 119187616) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID119187616
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)c1cnc(-c2ncccn2)s1)C(=O)O
InChIInChI=1S/C12H12N4O3S/c1-12(2,11(18)19)16-9(17)7-6-15-10(20-7)8-13-4-3-5-14-8/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyYCWNMCHPOUKKPX-UHFFFAOYSA-N
XLogP1.19
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Pyrimidin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 43622195
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427175
2-pyrimidin-2-yl-N-[2-(2H-tetrazol-5-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 132306657
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 120411136
N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 154782020
N-(4-amino-1,1,1-trifluorobutan-2-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 167938587
N-(1-cyano-1-propylbutyl)-2-(pyrimidin-2-yl)-1,3-thiazole-5-carboxamide
CID 71848918
N-(1-cyano-2,2-dimethylpropyl)-2-(pyrimidin-2-yl)-1,3-thiazole-5-carboxamide
CID 71857960
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117092128
2-(4-Aminopyrimidin-2-yl)-1,3-thiazole-5-carboxamide
CID 67993021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 119187616) is 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is CC(C)(NC(=O)c1cnc(-c2ncccn2)s1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is YCWNMCHPOUKKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-12(2,11(18)19)16-9(17)7-6-15-10(20-7)8-13-4-3-5-14-8/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 292.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119187616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).