N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C19H16N4O2S — CID 121196771

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C19H16N4O2S/c1-13-17(26-19(22-13)23-7-2-3-8-23)18(24)21-11-14-4-5-16(20-10-14)15-6-9-25-12-15/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyUATOIUWBRDJAQE-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.83
Rot. Bonds5

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 121196771) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID121196771
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C19H16N4O2S/c1-13-17(26-19(22-13)23-7-2-3-8-23)18(24)21-11-14-4-5-16(20-10-14)15-6-9-25-12-15/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyUATOIUWBRDJAQE-UHFFFAOYSA-N
XLogP3.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 29133126
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121022451
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 122263393
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 121196701
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121196683
3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221

Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 121196771) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(-c2ccoc2)nc1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UATOIUWBRDJAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13-17(26-19(22-13)23-7-2-3-8-23)18(24)21-11-14-4-5-16(20-10-14)15-6-9-25-12-15/h2-10,12H,11H2,1H3,(H,21,24).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 121196771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).