2-methylpyrrolo[2,1-b][1,3]thiazole

C7H7NS — CID 45087717

IUPAC2-methylpyrrolo[2,1-b][1,3]thiazole
SMILESCc1cn2cccc2s1
InChIInChI=1S/C7H7NS/c1-6-5-8-4-2-3-7(8)9-6/h2-5H,1H3
InChIKeyWHMNQHNCTCXQAT-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.31
Rot. Bonds

About 2-methylpyrrolo[2,1-b][1,3]thiazole

2-methylpyrrolo[2,1-b][1,3]thiazole (PubChem CID 45087717) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 2-methylpyrrolo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-methylpyrrolo[2,1-b][1,3]thiazole
PubChem CID45087717
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name2-methylpyrrolo[2,1-b][1,3]thiazole
SMILESCc1cn2cccc2s1
InChIInChI=1S/C7H7NS/c1-6-5-8-4-2-3-7(8)9-6/h2-5H,1H3
InChIKeyWHMNQHNCTCXQAT-UHFFFAOYSA-N
XLogP2.31
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolo[2,1-b][1,3]thiazole?
The IUPAC name of 2-methylpyrrolo[2,1-b][1,3]thiazole (CID 45087717) is 2-methylpyrrolo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-methylpyrrolo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-methylpyrrolo[2,1-b][1,3]thiazole is Cc1cn2cccc2s1.
What is the InChIKey of 2-methylpyrrolo[2,1-b][1,3]thiazole?
The InChIKey is WHMNQHNCTCXQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-6-5-8-4-2-3-7(8)9-6/h2-5H,1H3.
What are the key properties of 2-methylpyrrolo[2,1-b][1,3]thiazole?
2-methylpyrrolo[2,1-b][1,3]thiazole has a molecular weight of 137.21 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[2,1-b][1,3]thiazole is sourced from PubChem (CID 45087717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).