2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole

C16H12N4S2 — CID 132570576

IUPAC2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole
SMILESCn1cccc1-c1cc(-c2nccs2)nc(-c2nccs2)c1
InChIInChI=1S/C16H12N4S2/c1-20-6-2-3-14(20)11-9-12(15-17-4-7-21-15)19-13(10-11)16-18-5-8-22-16/h2-10H,1H3
InChIKeyRRPSJTCUGSKTGG-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.33
Rot. Bonds3

About 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole

2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 132570576) has the molecular formula C16H12N4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID132570576
Molecular FormulaC16H12N4S2
Molecular Weight324.43 g/mol
Exact Mass324.05
IUPAC Name2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole
SMILESCn1cccc1-c1cc(-c2nccs2)nc(-c2nccs2)c1
InChIInChI=1S/C16H12N4S2/c1-20-6-2-3-14(20)11-9-12(15-17-4-7-21-15)19-13(10-11)16-18-5-8-22-16/h2-10H,1H3
InChIKeyRRPSJTCUGSKTGG-UHFFFAOYSA-N
XLogP4.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole with MolForge

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Related Compounds

2-(5-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole
CID 115403942
1-methyl-4-(1,3-thiazol-2-yl)imidazole-2-carbaldehyde
CID 89487203
tri(propan-2-yl)-[2-(1,3-thiazol-2-yl)pyrrol-1-yl]silane
CID 66683082
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 139386122
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole
CID 115404517
4-methylpyrrolo[3,2-b]pyridine;hydroiodide
CID 131675074
2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
CID 29150984
3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
CID 64993453
2-(5-tert-butyl-1-methylpyrazol-3-yl)-1,3-thiazole
CID 155787854
3-(1-methylpyrrol-2-yl)pyridine
CID 10249
2-(furan-2-yl)-4-(1-methylpyrrol-2-yl)-1,3-thiazole
CID 32501072

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole (CID 132570576) is 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole is Cn1cccc1-c1cc(-c2nccs2)nc(-c2nccs2)c1.
What is the InChIKey of 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is RRPSJTCUGSKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S2/c1-20-6-2-3-14(20)11-9-12(15-17-4-7-21-15)19-13(10-11)16-18-5-8-22-16/h2-10H,1H3.
What are the key properties of 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole?
2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 324.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 132570576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).