4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole

C20H12N10OS3 — CID 141298078

IUPAC4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole
SMILESc1csc(C2(c3cnc4nc[nH]c4c3)OC(c3nn[nH]n3)=C(c3nccs3)C2c2csnn2)c1
InChIInChI=1S/C20H12N10OS3/c1-2-13(32-4-1)20(10-6-11-17(22-7-10)24-9-23-11)15(12-8-34-30-25-12)14(19-21-3-5-33-19)16(31-20)18-26-28-29-27-18/h1-9,15H,(H,22,23,24)(H,26,27,28,29)
InChIKeyMRWLKHPCTFJDIC-UHFFFAOYSA-N
MW504.59 g/mol
LogP3.47
Rot. Bonds5

About 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole

4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole (PubChem CID 141298078) has the molecular formula C20H12N10OS3 and a molecular weight of 504.59 g/mol. Its IUPAC name is 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole.

Molecular Properties

Compound Name4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole
PubChem CID141298078
Molecular FormulaC20H12N10OS3
Molecular Weight504.59 g/mol
Exact Mass504.04
IUPAC Name4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole
SMILESc1csc(C2(c3cnc4nc[nH]c4c3)OC(c3nn[nH]n3)=C(c3nccs3)C2c2csnn2)c1
InChIInChI=1S/C20H12N10OS3/c1-2-13(32-4-1)20(10-6-11-17(22-7-10)24-9-23-11)15(12-8-34-30-25-12)14(19-21-3-5-33-19)16(31-20)18-26-28-29-27-18/h1-9,15H,(H,22,23,24)(H,26,27,28,29)
InChIKeyMRWLKHPCTFJDIC-UHFFFAOYSA-N
XLogP3.47
TPSA143.93 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole with MolForge

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Related Compounds

2-[3-(1H-imidazol-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-2-thiophen-2-yl-4-(2H-triazol-4-yl)furan-2-yl]-1,3-benzothiazole
CID 141152585
2-[4-imidazol-1-yl-5-(1H-pyrrol-2-yl)-2-(triazin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-3-yl]-1,3-thiazole
CID 141322112

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole?
The IUPAC name of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole (CID 141298078) is 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole.
What is the SMILES notation for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole?
The canonical SMILES for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole is c1csc(C2(c3cnc4nc[nH]c4c3)OC(c3nn[nH]n3)=C(c3nccs3)C2c2csnn2)c1.
What is the InChIKey of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole?
The InChIKey is MRWLKHPCTFJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N10OS3/c1-2-13(32-4-1)20(10-6-11-17(22-7-10)24-9-23-11)15(12-8-34-30-25-12)14(19-21-3-5-33-19)16(31-20)18-26-28-29-27-18/h1-9,15H,(H,22,23,24)(H,26,27,28,29).
What are the key properties of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole?
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole has a molecular weight of 504.59 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-5-(2H-tetrazol-5-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-furan-3-yl]thiadiazole is sourced from PubChem (CID 141298078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).