N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

C12H15N3OS — CID 29139403

IUPACN-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)NC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C12H15N3OS/c1-9(2)14-11(16)7-10-8-13-12(17-10)15-5-3-4-6-15/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyOXFDEFLLESOZIX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.00
Rot. Bonds4

About N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 29139403) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID29139403
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)NC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C12H15N3OS/c1-9(2)14-11(16)7-10-8-13-12(17-10)15-5-3-4-6-15/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyOXFDEFLLESOZIX-UHFFFAOYSA-N
XLogP2.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (CID 29139403) is N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is CC(C)NC(=O)Cc1cnc(-n2cccc2)s1.
What is the InChIKey of N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is OXFDEFLLESOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(2)14-11(16)7-10-8-13-12(17-10)15-5-3-4-6-15/h3-6,8-9H,7H2,1-2H3,(H,14,16).
What are the key properties of N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 29139403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).