2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C10H10N4O2S — CID 66375481

IUPAC2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1ccncn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H10N4O2S/c1-6(13-8-2-3-11-5-12-8)9-14-7(4-17-9)10(15)16/h2-6H,1H3,(H,15,16)(H,11,12,13)
InChIKeyCXYDWIZGFZRETE-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.80
Rot. Bonds4

About 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66375481) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66375481
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1ccncn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H10N4O2S/c1-6(13-8-2-3-11-5-12-8)9-14-7(4-17-9)10(15)16/h2-6H,1H3,(H,15,16)(H,11,12,13)
InChIKeyCXYDWIZGFZRETE-UHFFFAOYSA-N
XLogP1.80
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372975
2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114474543
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373557
2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 103385118
2-[1-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374696
2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375286
2-[1-[(5-nitropyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372600
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-(2-cyanoanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374137
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114958949

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66375481) is 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(Nc1ccncn1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CXYDWIZGFZRETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6(13-8-2-3-11-5-12-8)9-14-7(4-17-9)10(15)16/h2-6H,1H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66375481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).