N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide

C11H13N3OS — CID 110688639

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
SMILESCc1nc(NC(=O)Cn2cccc2)sc1C
InChIInChI=1S/C11H13N3OS/c1-8-9(2)16-11(12-8)13-10(15)7-14-5-3-4-6-14/h3-6H,7H2,1-2H3,(H,12,13,15)
InChIKeyHQOLWIXUZZOHCQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.20
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide (PubChem CID 110688639) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
PubChem CID110688639
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
SMILESCc1nc(NC(=O)Cn2cccc2)sc1C
InChIInChI=1S/C11H13N3OS/c1-8-9(2)16-11(12-8)13-10(15)7-14-5-3-4-6-14/h3-6H,7H2,1-2H3,(H,12,13,15)
InChIKeyHQOLWIXUZZOHCQ-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(5-amino-2-oxo-1-pyridinyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
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CID 51151024
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2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide (CID 110688639) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide is Cc1nc(NC(=O)Cn2cccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide?
The InChIKey is HQOLWIXUZZOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-9(2)16-11(12-8)13-10(15)7-14-5-3-4-6-14/h3-6H,7H2,1-2H3,(H,12,13,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide has a molecular weight of 235.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 110688639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).