5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole

C12H15NS — CID 167584661

IUPAC5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole
SMILESCc1ccc(C2=NCC(C(C)C)=C2)s1
InChIInChI=1S/C12H15NS/c1-8(2)10-6-11(13-7-10)12-5-4-9(3)14-12/h4-6,8H,7H2,1-3H3
InChIKeyBHLWZNSAPBIPPH-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.44
Rot. Bonds2

About 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole

5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole (PubChem CID 167584661) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole
PubChem CID167584661
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole
SMILESCc1ccc(C2=NCC(C(C)C)=C2)s1
InChIInChI=1S/C12H15NS/c1-8(2)10-6-11(13-7-10)12-5-4-9(3)14-12/h4-6,8H,7H2,1-3H3
InChIKeyBHLWZNSAPBIPPH-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole?
The IUPAC name of 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole (CID 167584661) is 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole is Cc1ccc(C2=NCC(C(C)C)=C2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole?
The InChIKey is BHLWZNSAPBIPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8(2)10-6-11(13-7-10)12-5-4-9(3)14-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole?
5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole has a molecular weight of 205.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 167584661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).