2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C14H19N5O2S — CID 135116889

IUPAC2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cc(NCCc2nc(C(=O)O)cs2)nc(N(C)C)n1
InChIInChI=1S/C14H19N5O2S/c1-4-9-7-11(18-14(16-9)19(2)3)15-6-5-12-17-10(8-22-12)13(20)21/h7-8H,4-6H2,1-3H3,(H,20,21)(H,15,16,18)
InChIKeyDQTHLTYVXXFVAM-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.91
Rot. Bonds7

About 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 135116889) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID135116889
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cc(NCCc2nc(C(=O)O)cs2)nc(N(C)C)n1
InChIInChI=1S/C14H19N5O2S/c1-4-9-7-11(18-14(16-9)19(2)3)15-6-5-12-17-10(8-22-12)13(20)21/h7-8H,4-6H2,1-3H3,(H,20,21)(H,15,16,18)
InChIKeyDQTHLTYVXXFVAM-UHFFFAOYSA-N
XLogP1.91
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374330
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115354779
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82302250
2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114806546
2-[2-[2-(diethylamino)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373322
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374035
6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid
CID 121003146
2-[2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372953
2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 167775492

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 135116889) is 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CCc1cc(NCCc2nc(C(=O)O)cs2)nc(N(C)C)n1.
What is the InChIKey of 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DQTHLTYVXXFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-4-9-7-11(18-14(16-9)19(2)3)15-6-5-12-17-10(8-22-12)13(20)21/h7-8H,4-6H2,1-3H3,(H,20,21)(H,15,16,18).
What are the key properties of 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 321.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 135116889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).