3-methyl-1H-pyrrole;5-methyl-1,3-thiazole

C9H12N2S — CID 142893857

IUPAC3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
SMILESCc1cc[nH]c1.Cc1cncs1
InChIInChI=1S/C5H7N.C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-3-6-4/h2-4,6H,1H3;2-3H,1H3
InChIKeyFGVLZMNRYCXDRM-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.77
Rot. Bonds

About 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole

3-methyl-1H-pyrrole;5-methyl-1,3-thiazole (PubChem CID 142893857) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
PubChem CID142893857
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
SMILESCc1cc[nH]c1.Cc1cncs1
InChIInChI=1S/C5H7N.C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-3-6-4/h2-4,6H,1H3;2-3H,1H3
InChIKeyFGVLZMNRYCXDRM-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole?
The IUPAC name of 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole (CID 142893857) is 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole.
What is the SMILES notation for 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole?
The canonical SMILES for 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole is Cc1cc[nH]c1.Cc1cncs1.
What is the InChIKey of 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole?
The InChIKey is FGVLZMNRYCXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-3-6-4/h2-4,6H,1H3;2-3H,1H3.
What are the key properties of 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole?
3-methyl-1H-pyrrole;5-methyl-1,3-thiazole has a molecular weight of 180.28 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrrole;5-methyl-1,3-thiazole is sourced from PubChem (CID 142893857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).