2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

C18H21N7O3S — CID 131986506

IUPAC2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2ncc(C(=O)O)s2)cc(N2CCN(NC3=CC(=O)CC3)CC2)n1
InChIInChI=1S/C18H21N7O3S/c1-11-20-15(22-18-19-10-14(29-18)17(27)28)9-16(21-11)24-4-6-25(7-5-24)23-12-2-3-13(26)8-12/h8-10,23H,2-7H2,1H3,(H,27,28)(H,19,20,21,22)
InChIKeyFPRLIDLXENDVGO-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.56
Rot. Bonds6

About 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 131986506) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID131986506
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC Name2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2ncc(C(=O)O)s2)cc(N2CCN(NC3=CC(=O)CC3)CC2)n1
InChIInChI=1S/C18H21N7O3S/c1-11-20-15(22-18-19-10-14(29-18)17(27)28)9-16(21-11)24-4-6-25(7-5-24)23-12-2-3-13(26)8-12/h8-10,23H,2-7H2,1H3,(H,27,28)(H,19,20,21,22)
InChIKeyFPRLIDLXENDVGO-UHFFFAOYSA-N
XLogP1.56
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-[(5-carboxy-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-ethylideneazanium
CID 131986491
2-[[6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 25118706
methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258369
2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 87641079
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 153405898
ethyl 2-[[6-[4-(2-acetyloxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258500
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 141147103
2-[[4-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]-6-(2-prop-2-enoylhydrazinyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 131989284
N-(3,5-dimethyl-4-pyridinyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 146500952
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 75989634
N-(4-chloro-2-fluorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 162346397

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (CID 131986506) is 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(Nc2ncc(C(=O)O)s2)cc(N2CCN(NC3=CC(=O)CC3)CC2)n1.
What is the InChIKey of 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FPRLIDLXENDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c1-11-20-15(22-18-19-10-14(29-18)17(27)28)9-16(21-11)24-4-6-25(7-5-24)23-12-2-3-13(26)8-12/h8-10,23H,2-7H2,1H3,(H,27,28)(H,19,20,21,22).
What are the key properties of 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 415.48 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 131986506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).