2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one

C14H18N2OS — CID 79108638

IUPAC2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one
SMILESCc1ncsc1CCn1ccc(C(=O)C(C)C)c1
InChIInChI=1S/C14H18N2OS/c1-10(2)14(17)12-4-6-16(8-12)7-5-13-11(3)15-9-18-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyLTQGUXBYWSGYAH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.33
Rot. Bonds5

About 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one

2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one (PubChem CID 79108638) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one
PubChem CID79108638
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one
SMILESCc1ncsc1CCn1ccc(C(=O)C(C)C)c1
InChIInChI=1S/C14H18N2OS/c1-10(2)14(17)12-4-6-16(8-12)7-5-13-11(3)15-9-18-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyLTQGUXBYWSGYAH-UHFFFAOYSA-N
XLogP3.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one (CID 79108638) is 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one is Cc1ncsc1CCn1ccc(C(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one?
The InChIKey is LTQGUXBYWSGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)14(17)12-4-6-16(8-12)7-5-13-11(3)15-9-18-13/h4,6,8-10H,5,7H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one?
2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one has a molecular weight of 262.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79108638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).