4-methyl-2-pyrrol-1-yl-1,3-thiazole

C8H8N2S — CID 4715102

IUPAC4-methyl-2-pyrrol-1-yl-1,3-thiazole
SMILESCc1csc(-n2cccc2)n1
InChIInChI=1S/C8H8N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h2-6H,1H3
InChIKeyCGBMFOMSDCBXOB-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.24
Rot. Bonds1

About 4-methyl-2-pyrrol-1-yl-1,3-thiazole

4-methyl-2-pyrrol-1-yl-1,3-thiazole (PubChem CID 4715102) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-methyl-2-pyrrol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyrrol-1-yl-1,3-thiazole
PubChem CID4715102
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4-methyl-2-pyrrol-1-yl-1,3-thiazole
SMILESCc1csc(-n2cccc2)n1
InChIInChI=1S/C8H8N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h2-6H,1H3
InChIKeyCGBMFOMSDCBXOB-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrol-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyrrol-1-yl-1,3-thiazole (CID 4715102) is 4-methyl-2-pyrrol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyrrol-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyrrol-1-yl-1,3-thiazole is Cc1csc(-n2cccc2)n1.
What is the InChIKey of 4-methyl-2-pyrrol-1-yl-1,3-thiazole?
The InChIKey is CGBMFOMSDCBXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h2-6H,1H3.
What are the key properties of 4-methyl-2-pyrrol-1-yl-1,3-thiazole?
4-methyl-2-pyrrol-1-yl-1,3-thiazole has a molecular weight of 164.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrol-1-yl-1,3-thiazole is sourced from PubChem (CID 4715102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).