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

C14H14N4O3S — CID 71915559

IUPAC3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cnc(-c2ncccn2)s1)C1CC1
InChIInChI=1S/C14H14N4O3S/c19-11(20)6-9(8-2-3-8)18-13(21)10-7-17-14(22-10)12-15-4-1-5-16-12/h1,4-5,7-9H,2-3,6H2,(H,18,21)(H,19,20)
InChIKeyJIWIYLISAPQDKI-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.58
Rot. Bonds6

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

3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 71915559) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID71915559
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cnc(-c2ncccn2)s1)C1CC1
InChIInChI=1S/C14H14N4O3S/c19-11(20)6-9(8-2-3-8)18-13(21)10-7-17-14(22-10)12-15-4-1-5-16-12/h1,4-5,7-9H,2-3,6H2,(H,18,21)(H,19,20)
InChIKeyJIWIYLISAPQDKI-UHFFFAOYSA-N
XLogP1.58
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 113447809
N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991209
N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626129
N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119495185
2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119449848
2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119187616
N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119592066
3-[(5-bromothiophene-3-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 81361728
3-cyclopropyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)propanoic acid
CID 81362400
N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 128533423
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 103117164
3-ethoxy-2,2-dimethyl-1-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120699864

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 71915559) is 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cnc(-c2ncccn2)s1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is JIWIYLISAPQDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c19-11(20)6-9(8-2-3-8)18-13(21)10-7-17-14(22-10)12-15-4-1-5-16-12/h1,4-5,7-9H,2-3,6H2,(H,18,21)(H,19,20).
What are the key properties of 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 318.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 71915559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).