5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide

C27H32N4O2S — CID 58740245

IUPAC5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide
SMILESCCCCC(CC)NC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(-c2ccco2)c1C
InChIInChI=1S/C27H32N4O2S/c1-5-8-10-20(6-2)29-26(32)22-16-24(31(18(22)4)25-11-9-14-33-25)23-17-34-27(30-23)19-12-13-28-21(7-3)15-19/h9,11-17,20H,5-8,10H2,1-4H3,(H,29,32)
InChIKeyLBERDSXRLVZZIF-UHFFFAOYSA-N
MW476.65 g/mol
LogP6.83
Rot. Bonds10

About 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide

5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide (PubChem CID 58740245) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide
PubChem CID58740245
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC Name5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide
SMILESCCCCC(CC)NC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(-c2ccco2)c1C
InChIInChI=1S/C27H32N4O2S/c1-5-8-10-20(6-2)29-26(32)22-16-24(31(18(22)4)25-11-9-14-33-25)23-17-34-27(30-23)19-12-13-28-21(7-3)15-19/h9,11-17,20H,5-8,10H2,1-4H3,(H,29,32)
InChIKeyLBERDSXRLVZZIF-UHFFFAOYSA-N
XLogP6.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-heptan-3-yl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 58740332
N-(2-ethylhexyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3865134
1-cyclohexyl-N-heptan-3-yl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740321
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3746651
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
CID 58740433
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-N-(2-piperidin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082682
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid
CID 174483867
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082685
N-heptan-3-yl-1-(2-methoxyethyl)-5-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 58740352
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylpyrrole-3-carboxamide
CID 3611364
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide
CID 58740314
N-(2-ethylhexyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3705177

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide (CID 58740245) is 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide is CCCCC(CC)NC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(-c2ccco2)c1C.
What is the InChIKey of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide?
The InChIKey is LBERDSXRLVZZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-5-8-10-20(6-2)29-26(32)22-16-24(31(18(22)4)25-11-9-14-33-25)23-17-34-27(30-23)19-12-13-28-21(7-3)15-19/h9,11-17,20H,5-8,10H2,1-4H3,(H,29,32).
What are the key properties of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide?
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide has a molecular weight of 476.65 g/mol, XLogP of 6.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 58740245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).