methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

C15H18N4O3S — CID 119702186

IUPACmethyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(NC(=O)CC3CCCN3)n2)c[nH]1
InChIInChI=1S/C15H18N4O3S/c1-22-14(21)11-5-9(7-17-11)12-8-23-15(18-12)19-13(20)6-10-3-2-4-16-10/h5,7-8,10,16-17H,2-4,6H2,1H3,(H,18,19,20)
InChIKeyVMGDWIQVZLPGRI-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.01
Rot. Bonds5

About methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate (PubChem CID 119702186) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
PubChem CID119702186
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Namemethyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(NC(=O)CC3CCCN3)n2)c[nH]1
InChIInChI=1S/C15H18N4O3S/c1-22-14(21)11-5-9(7-17-11)12-8-23-15(18-12)19-13(20)6-10-3-2-4-16-10/h5,7-8,10,16-17H,2-4,6H2,1H3,(H,18,19,20)
InChIKeyVMGDWIQVZLPGRI-UHFFFAOYSA-N
XLogP2.01
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676923
methyl 4-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 71943404
methyl 4-[2-(oxane-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 30710746
methyl 4-[2-[(1-aminocyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702148
methyl 4-[2-[4-(methylamino)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 119702153
methyl 4-[2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 86991183
methyl 4-[2-(1,3-thiazolidine-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119277943
methyl 4-[2-(1,3-thiazolidine-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 119277942
methyl 4-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55548975
methyl 4-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119277949
methyl 4-[2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702158
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119676880

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate (CID 119702186) is methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(-c2csc(NC(=O)CC3CCCN3)n2)c[nH]1.
What is the InChIKey of methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The InChIKey is VMGDWIQVZLPGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-22-14(21)11-5-9(7-17-11)12-8-23-15(18-12)19-13(20)6-10-3-2-4-16-10/h5,7-8,10,16-17H,2-4,6H2,1H3,(H,18,19,20).
What are the key properties of methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 119702186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).