2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole

C16H12N12OS — CID 140987812

IUPAC2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESc1c[nH]c(S2(c3ncc[nH]3)C(c3ncco3)=NC(c3nn[nH]n3)=C2c2cn[nH]n2)c1
InChIInChI=1S/C16H12N12OS/c1-2-10(17-3-1)30(16-19-4-5-20-16)12(9-8-21-26-23-9)11(13-24-27-28-25-13)22-15(30)14-18-6-7-29-14/h1-8,17H,(H,19,20)(H,21,23,26)(H,24,25,27,28)
InChIKeyCIACMKNRZZJTQU-UHFFFAOYSA-N
MW420.42 g/mol
LogP1.57
Rot. Bonds5

About 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole

2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 140987812) has the molecular formula C16H12N12OS and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID140987812
Molecular FormulaC16H12N12OS
Molecular Weight420.42 g/mol
Exact Mass420.10
IUPAC Name2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESc1c[nH]c(S2(c3ncc[nH]3)C(c3ncco3)=NC(c3nn[nH]n3)=C2c2cn[nH]n2)c1
InChIInChI=1S/C16H12N12OS/c1-2-10(17-3-1)30(16-19-4-5-20-16)12(9-8-21-26-23-9)11(13-24-27-28-25-13)22-15(30)14-18-6-7-29-14/h1-8,17H,(H,19,20)(H,21,23,26)(H,24,25,27,28)
InChIKeyCIACMKNRZZJTQU-UHFFFAOYSA-N
XLogP1.57
TPSA178.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[1-(1H-azepin-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 140991659
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;bis(2-tert-butyl-1H-pyrrole);5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole);methane
CID 158765651

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole (CID 140987812) is 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole is c1c[nH]c(S2(c3ncc[nH]3)C(c3ncco3)=NC(c3nn[nH]n3)=C2c2cn[nH]n2)c1.
What is the InChIKey of 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is CIACMKNRZZJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N12OS/c1-2-10(17-3-1)30(16-19-4-5-20-16)12(9-8-21-26-23-9)11(13-24-27-28-25-13)22-15(30)14-18-6-7-29-14/h1-8,17H,(H,19,20)(H,21,23,26)(H,24,25,27,28).
What are the key properties of 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 420.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 140987812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).