methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate

C19H24Cl2N4O5S — CID 59406829

IUPACmethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOCCOC1CN(c2ncc(C(=O)OC)s2)CCC1NC(=O)c1[nH]c(C)c(Cl)c1Cl
InChIInChI=1S/C19H24Cl2N4O5S/c1-10-14(20)15(21)16(23-10)17(26)24-11-4-5-25(9-12(11)30-7-6-28-2)19-22-8-13(31-19)18(27)29-3/h8,11-12,23H,4-7,9H2,1-3H3,(H,24,26)
InChIKeyFRFNNDZIRAQHJM-UHFFFAOYSA-N
MW491.40 g/mol
LogP2.91
Rot. Bonds8

About methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate

methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 59406829) has the molecular formula C19H24Cl2N4O5S and a molecular weight of 491.40 g/mol. Its IUPAC name is methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID59406829
Molecular FormulaC19H24Cl2N4O5S
Molecular Weight491.40 g/mol
Exact Mass490.08
IUPAC Namemethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOCCOC1CN(c2ncc(C(=O)OC)s2)CCC1NC(=O)c1[nH]c(C)c(Cl)c1Cl
InChIInChI=1S/C19H24Cl2N4O5S/c1-10-14(20)15(21)16(23-10)17(26)24-11-4-5-25(9-12(11)30-7-6-28-2)19-22-8-13(31-19)18(27)29-3/h8,11-12,23H,4-7,9H2,1-3H3,(H,24,26)
InChIKeyFRFNNDZIRAQHJM-UHFFFAOYSA-N
XLogP2.91
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate 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

methyl 2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 91534205
methyl 2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-propoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 91402459
2-[(3R,4S)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 86643333
methyl 2-[(3R,4S)-3-azido-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 131739905
2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-hydroxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 68519587
methyl 2-[4-[(4-chloro-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-(methylsulfonylmethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 70868838
methyl 2-[3-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]azetidin-1-yl]-1,3-thiazole-5-carboxylate
CID 11846546
2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 11718729
methyl 2-[4-[[4-chloro-3-(iodomethyl)-5-methyl-1H-pyrrole-2-carbonyl]amino]-3-(methylsulfonylmethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 89441292
2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(triazol-1-yl)piperidin-1-yl]-N-methoxy-1,3-thiazole-5-carboxamide
CID 86647386
2-[(3S,4R)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-fluoropiperidin-1-yl]-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
CID 59406887
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 11463807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 59406829) is methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate is COCCOC1CN(c2ncc(C(=O)OC)s2)CCC1NC(=O)c1[nH]c(C)c(Cl)c1Cl.
What is the InChIKey of methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is FRFNNDZIRAQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O5S/c1-10-14(20)15(21)16(23-10)17(26)24-11-4-5-25(9-12(11)30-7-6-28-2)19-22-8-13(31-19)18(27)29-3/h8,11-12,23H,4-7,9H2,1-3H3,(H,24,26).
What are the key properties of methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 491.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(2-methoxyethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59406829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).