3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

C14H11N5O4S — CID 167969718

IUPAC3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1nocc1C(=O)O
InChIInChI=1S/C14H11N5O4S/c1-7-10(24-13(18-7)11-15-3-2-4-16-11)12(20)17-5-9-8(14(21)22)6-23-19-9/h2-4,6H,5H2,1H3,(H,17,20)(H,21,22)
InChIKeyQITYPMRRBLMUQW-UHFFFAOYSA-N
MW345.34 g/mol
LogP1.52
Rot. Bonds5

About 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 167969718) has the molecular formula C14H11N5O4S and a molecular weight of 345.34 g/mol. Its IUPAC name is 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID167969718
Molecular FormulaC14H11N5O4S
Molecular Weight345.34 g/mol
Exact Mass345.05
IUPAC Name3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1nocc1C(=O)O
InChIInChI=1S/C14H11N5O4S/c1-7-10(24-13(18-7)11-15-3-2-4-16-11)12(20)17-5-9-8(14(21)22)6-23-19-9/h2-4,6H,5H2,1H3,(H,17,20)(H,21,22)
InChIKeyQITYPMRRBLMUQW-UHFFFAOYSA-N
XLogP1.52
TPSA131.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089635
N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 100617450
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
N-(3-aminopropyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119408938
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55870412
(2R)-3-methyl-2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119368319
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 56523982
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (CID 167969718) is 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is Cc1nc(-c2ncccn2)sc1C(=O)NCc1nocc1C(=O)O.
What is the InChIKey of 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is QITYPMRRBLMUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4S/c1-7-10(24-13(18-7)11-15-3-2-4-16-11)12(20)17-5-9-8(14(21)22)6-23-19-9/h2-4,6H,5H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 345.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 167969718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).