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

C15H18N4O3S — CID 119190334

IUPAC3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C15H18N4O3S/c1-10(2)9-19(7-4-12(20)21)15(22)11-8-18-14(23-11)13-16-5-3-6-17-13/h3,5-6,8,10H,4,7,9H2,1-2H3,(H,20,21)
InChIKeyRTUVHTYOBRJIMK-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.17
Rot. Bonds7

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

3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 119190334) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID119190334
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C15H18N4O3S/c1-10(2)9-19(7-4-12(20)21)15(22)11-8-18-14(23-11)13-16-5-3-6-17-13/h3,5-6,8,10H,4,7,9H2,1-2H3,(H,20,21)
InChIKeyRTUVHTYOBRJIMK-UHFFFAOYSA-N
XLogP2.17
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-5-pyrimidinecarboxamide
CID 72854014
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427175
3-Fluoro-1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258799
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 120411136
(3S,4S)-1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950574
N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 154782020
2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155952662
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117092128
Methyl 2-(2-pyrimidinyl)-5-thiazolecarboxylate
CID 57688429

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 119190334) is 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is RTUVHTYOBRJIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(2)9-19(7-4-12(20)21)15(22)11-8-18-14(23-11)13-16-5-3-6-17-13/h3,5-6,8,10H,4,7,9H2,1-2H3,(H,20,21).
What are the key properties of 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 334.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119190334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).