[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

C19H16N6O2S — CID 166320388

IUPAC[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC(c2nn[nH]n2)C1
InChIInChI=1S/C19H16N6O2S/c26-19(25-9-8-13(11-25)17-21-23-24-22-17)16-15(12-5-2-1-3-6-12)20-18(28-16)14-7-4-10-27-14/h1-7,10,13H,8-9,11H2,(H,21,22,23,24)
InChIKeyVLIMMIRIJADSMR-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.21
Rot. Bonds4

About [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 166320388) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID166320388
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC(c2nn[nH]n2)C1
InChIInChI=1S/C19H16N6O2S/c26-19(25-9-8-13(11-25)17-21-23-24-22-17)16-15(12-5-2-1-3-6-12)20-18(28-16)14-7-4-10-27-14/h1-7,10,13H,8-9,11H2,(H,21,22,23,24)
InChIKeyVLIMMIRIJADSMR-UHFFFAOYSA-N
XLogP3.21
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56544374
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
[4-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 46456067
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 46551376
[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 82437452
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119455202
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
2-(furan-2-yl)-N-(1-methylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 32608675
2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 167851854
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 82035056

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (CID 166320388) is [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC(c2nn[nH]n2)C1.
What is the InChIKey of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VLIMMIRIJADSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c26-19(25-9-8-13(11-25)17-21-23-24-22-17)16-15(12-5-2-1-3-6-12)20-18(28-16)14-7-4-10-27-14/h1-7,10,13H,8-9,11H2,(H,21,22,23,24).
What are the key properties of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 392.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166320388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).