ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate

C19H21N7O3S — CID 119101033

IUPACethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1
InChIInChI=1S/C19H21N7O3S/c1-4-29-18(28)14-9-30-19(22-14)23-17(27)13-7-25(8-13)15-6-16(21-10-20-15)26-12(3)5-11(2)24-26/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,22,23,27)
InChIKeyKOUFLSKDHOERAW-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.99
Rot. Bonds6

About ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 119101033) has the molecular formula C19H21N7O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID119101033
Molecular FormulaC19H21N7O3S
Molecular Weight427.49 g/mol
Exact Mass427.14
IUPAC Nameethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1
InChIInChI=1S/C19H21N7O3S/c1-4-29-18(28)14-9-30-19(22-14)23-17(27)13-7-25(8-13)15-6-16(21-10-20-15)26-12(3)5-11(2)24-26/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,22,23,27)
InChIKeyKOUFLSKDHOERAW-UHFFFAOYSA-N
XLogP1.99
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121169108
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121169077
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide
CID 121168871
ethyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 121169098
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)azetidine-3-carboxamide
CID 121169118
N-(4-carbamoylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168928
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-fluorophenyl)azetidine-3-carboxamide
CID 121168907
N-(2,5-dichlorophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168983
N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121018233
ethyl 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 71795261
N-(2-benzamidoethyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121169141
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 119101033) is ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1.
What is the InChIKey of ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is KOUFLSKDHOERAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3S/c1-4-29-18(28)14-9-30-19(22-14)23-17(27)13-7-25(8-13)15-6-16(21-10-20-15)26-12(3)5-11(2)24-26/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,22,23,27).
What are the key properties of ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 427.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 119101033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).