4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole

C26H18N14S2 — CID 141137154

IUPAC4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole
SMILESc1ccc(C2(c3ccc[nH]3)C(c3csnn3)=C(c3ncc[nH]3)N(c3nccs3)C2(c2ncccn2)c2nn[nH]n2)nc1
InChIInChI=1S/C26H18N14S2/c1-2-7-27-17(5-1)25(18-6-3-8-28-18)19(16-15-42-39-34-16)20(21-29-11-12-30-21)40(24-33-13-14-41-24)26(25,23-35-37-38-36-23)22-31-9-4-10-32-22/h1-15,28H,(H,29,30)(H,35,36,37,38)
InChIKeyNGQJAQDDGCJAGD-UHFFFAOYSA-N
MW590.66 g/mol
LogP3.06
Rot. Bonds7

About 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole

4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole (PubChem CID 141137154) has the molecular formula C26H18N14S2 and a molecular weight of 590.66 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole.

Molecular Properties

Compound Name4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole
PubChem CID141137154
Molecular FormulaC26H18N14S2
Molecular Weight590.66 g/mol
Exact Mass590.13
IUPAC Name4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole
SMILESc1ccc(C2(c3ccc[nH]3)C(c3csnn3)=C(c3ncc[nH]3)N(c3nccs3)C2(c2ncccn2)c2nn[nH]n2)nc1
InChIInChI=1S/C26H18N14S2/c1-2-7-27-17(5-1)25(18-6-3-8-28-18)19(16-15-42-39-34-16)20(21-29-11-12-30-21)40(24-33-13-14-41-24)26(25,23-35-37-38-36-23)22-31-9-4-10-32-22/h1-15,28H,(H,29,30)(H,35,36,37,38)
InChIKeyNGQJAQDDGCJAGD-UHFFFAOYSA-N
XLogP3.06
TPSA179.51 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.66
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole?
The IUPAC name of 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole (CID 141137154) is 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole.
What is the SMILES notation for 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole?
The canonical SMILES for 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole is c1ccc(C2(c3ccc[nH]3)C(c3csnn3)=C(c3ncc[nH]3)N(c3nccs3)C2(c2ncccn2)c2nn[nH]n2)nc1.
What is the InChIKey of 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole?
The InChIKey is NGQJAQDDGCJAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N14S2/c1-2-7-27-17(5-1)25(18-6-3-8-28-18)19(16-15-42-39-34-16)20(21-29-11-12-30-21)40(24-33-13-14-41-24)26(25,23-35-37-38-36-23)22-31-9-4-10-32-22/h1-15,28H,(H,29,30)(H,35,36,37,38).
What are the key properties of 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole?
4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole has a molecular weight of 590.66 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-2-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]thiadiazole is sourced from PubChem (CID 141137154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).