2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide

C12H16N6OS — CID 156516134

IUPAC2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCNNC(C(=O)Nc1nccs1)c1ncn2c1CCC2
InChIInChI=1S/C12H16N6OS/c1-13-17-10(11(19)16-12-14-4-6-20-12)9-8-3-2-5-18(8)7-15-9/h4,6-7,10,13,17H,2-3,5H2,1H3,(H,14,16,19)
InChIKeyHQLBHFMIFKKXGJ-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.69
Rot. Bonds5

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 156516134) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID156516134
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCNNC(C(=O)Nc1nccs1)c1ncn2c1CCC2
InChIInChI=1S/C12H16N6OS/c1-13-17-10(11(19)16-12-14-4-6-20-12)9-8-3-2-5-18(8)7-15-9/h4,6-7,10,13,17H,2-3,5H2,1H3,(H,14,16,19)
InChIKeyHQLBHFMIFKKXGJ-UHFFFAOYSA-N
XLogP0.69
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide (CID 156516134) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide is CNNC(C(=O)Nc1nccs1)c1ncn2c1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HQLBHFMIFKKXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-13-17-10(11(19)16-12-14-4-6-20-12)9-8-3-2-5-18(8)7-15-9/h4,6-7,10,13,17H,2-3,5H2,1H3,(H,14,16,19).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 292.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(2-methylhydrazinyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156516134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).