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

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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).