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

C13H16N4O2S — CID 66374330

IUPAC2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCc1cc(NCCc2nc(C(=O)O)cs2)ncn1
InChIInChI=1S/C13H16N4O2S/c1-2-3-9-6-11(16-8-15-9)14-5-4-12-17-10(7-20-12)13(18)19/h6-8H,2-5H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyCXSIWMJILZQPRV-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.24
Rot. Bonds7

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

2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374330) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374330
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCc1cc(NCCc2nc(C(=O)O)cs2)ncn1
InChIInChI=1S/C13H16N4O2S/c1-2-3-9-6-11(16-8-15-9)14-5-4-12-17-10(7-20-12)13(18)19/h6-8H,2-5H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyCXSIWMJILZQPRV-UHFFFAOYSA-N
XLogP2.24
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[2-(dimethylamino)-6-ethylpyrimidin-4-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 135116889
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115354779
N-propyl-2-[(6-propylpyrimidin-4-yl)amino]acetamide
CID 61240529
2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114806546
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
2-[2-[(4-propylpyrimidine-5-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 122558408
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894
2-[[3-(ethylamino)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379938

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374330) is 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CCCc1cc(NCCc2nc(C(=O)O)cs2)ncn1.
What is the InChIKey of 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CXSIWMJILZQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-3-9-6-11(16-8-15-9)14-5-4-12-17-10(7-20-12)13(18)19/h6-8H,2-5H2,1H3,(H,18,19)(H,14,15,16).
What are the key properties of 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-propylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).