dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate

C19H19N5O5S — CID 3757459

IUPACdimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate
SMILESCOC(=O)CC(CC(=O)OC)n1cc(NC(=O)c2csc(-c3ccncc3)n2)cn1
InChIInChI=1S/C19H19N5O5S/c1-28-16(25)7-14(8-17(26)29-2)24-10-13(9-21-24)22-18(27)15-11-30-19(23-15)12-3-5-20-6-4-12/h3-6,9-11,14H,7-8H2,1-2H3,(H,22,27)
InChIKeyDEBPUPFJYQHJRZ-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.32
Rot. Bonds8

About dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate

dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate (PubChem CID 3757459) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate.

Molecular Properties

Compound Namedimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate
PubChem CID3757459
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC Namedimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate
SMILESCOC(=O)CC(CC(=O)OC)n1cc(NC(=O)c2csc(-c3ccncc3)n2)cn1
InChIInChI=1S/C19H19N5O5S/c1-28-16(25)7-14(8-17(26)29-2)24-10-13(9-21-24)22-18(27)15-11-30-19(23-15)12-3-5-20-6-4-12/h3-6,9-11,14H,7-8H2,1-2H3,(H,22,27)
InChIKeyDEBPUPFJYQHJRZ-UHFFFAOYSA-N
XLogP2.32
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate 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

dimethyl 3-[4-[(6-chloropyridine-2-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3754878
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
N-[1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130014
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 167957814
dimethyl 3-[4-[[2-(difluoromethylsulfanyl)benzoyl]amino]pyrazol-1-yl]pentanedioate
CID 3862990
N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130069
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 88725895
N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129914
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate?
The IUPAC name of dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate (CID 3757459) is dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate.
What is the SMILES notation for dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate?
The canonical SMILES for dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate is COC(=O)CC(CC(=O)OC)n1cc(NC(=O)c2csc(-c3ccncc3)n2)cn1.
What is the InChIKey of dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate?
The InChIKey is DEBPUPFJYQHJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-28-16(25)7-14(8-17(26)29-2)24-10-13(9-21-24)22-18(27)15-11-30-19(23-15)12-3-5-20-6-4-12/h3-6,9-11,14H,7-8H2,1-2H3,(H,22,27).
What are the key properties of dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate?
dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate has a molecular weight of 429.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate is sourced from PubChem (CID 3757459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).