2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole

C22H16N14S — CID 141121727

IUPAC2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole
SMILESc1ccc(C2(c3ccc[nH]3)N=C(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N2c2nccs2)nc1
InChIInChI=1S/C22H16N14S/c1-2-6-23-14(4-1)22(15-5-3-7-24-15)29-17(19-31-34-35-32-19)16(13-12-28-33-30-13)18(20-25-8-9-26-20)36(22)21-27-10-11-37-21/h1-12,24H,(H,25,26)(H,28,30,33)(H,31,32,34,35)
InChIKeyXWTCLUCHYRVNER-UHFFFAOYSA-N
MW508.54 g/mol
LogP2.00
Rot. Bonds6

About 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole

2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole (PubChem CID 141121727) has the molecular formula C22H16N14S and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole
PubChem CID141121727
Molecular FormulaC22H16N14S
Molecular Weight508.54 g/mol
Exact Mass508.14
IUPAC Name2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole
SMILESc1ccc(C2(c3ccc[nH]3)N=C(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N2c2nccs2)nc1
InChIInChI=1S/C22H16N14S/c1-2-6-23-14(4-1)22(15-5-3-7-24-15)29-17(19-31-34-35-32-19)16(13-12-28-33-30-13)18(20-25-8-9-26-20)36(22)21-27-10-11-37-21/h1-12,24H,(H,25,26)(H,28,30,33)(H,31,32,34,35)
InChIKeyXWTCLUCHYRVNER-UHFFFAOYSA-N
XLogP2.00
TPSA181.88 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole (CID 141121727) is 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole is c1ccc(C2(c3ccc[nH]3)N=C(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N2c2nccs2)nc1.
What is the InChIKey of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole?
The InChIKey is XWTCLUCHYRVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N14S/c1-2-6-23-14(4-1)22(15-5-3-7-24-15)29-17(19-31-34-35-32-19)16(13-12-28-33-30-13)18(20-25-8-9-26-20)36(22)21-27-10-11-37-21/h1-12,24H,(H,25,26)(H,28,30,33)(H,31,32,34,35).
What are the key properties of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole?
2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole has a molecular weight of 508.54 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 141121727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).