6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid

C14H15N5O3S — CID 166070841

IUPAC6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCN(C(=O)c3cncs3)CC2)ncn1
InChIInChI=1S/C14H15N5O3S/c20-13(11-6-15-8-23-11)19-3-1-9(2-4-19)18-12-5-10(14(21)22)16-7-17-12/h5-9H,1-4H2,(H,21,22)(H,16,17,18)
InChIKeyQJITXSUPGSONBL-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.35
Rot. Bonds4

About 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid

6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid (PubChem CID 166070841) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
PubChem CID166070841
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCN(C(=O)c3cncs3)CC2)ncn1
InChIInChI=1S/C14H15N5O3S/c20-13(11-6-15-8-23-11)19-3-1-9(2-4-19)18-12-5-10(14(21)22)16-7-17-12/h5-9H,1-4H2,(H,21,22)(H,16,17,18)
InChIKeyQJITXSUPGSONBL-UHFFFAOYSA-N
XLogP1.35
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate
CID 166070952
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
CID 131142279
(4-pyrazin-2-yloxypiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95811378
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide
CID 166192357
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 167900008
(4-pyridin-2-ylpiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95828576
6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
CID 165146859
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
1-[4-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 155120412

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid (CID 166070841) is 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid is O=C(O)c1cc(NC2CCN(C(=O)c3cncs3)CC2)ncn1.
What is the InChIKey of 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The InChIKey is QJITXSUPGSONBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c20-13(11-6-15-8-23-11)19-3-1-9(2-4-19)18-12-5-10(14(21)22)16-7-17-12/h5-9H,1-4H2,(H,21,22)(H,16,17,18).
What are the key properties of 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid has a molecular weight of 333.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 166070841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).