2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide

C13H14N4OS — CID 169087202

IUPAC2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ncn2c1CCC21CC1)Nc1nccs1
InChIInChI=1S/C13H14N4OS/c18-11(16-12-14-5-6-19-12)7-9-10-1-2-13(3-4-13)17(10)8-15-9/h5-6,8H,1-4,7H2,(H,14,16,18)
InChIKeyPEUAOCKRXUBOST-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.96
Rot. Bonds3

About 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide

2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 169087202) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID169087202
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ncn2c1CCC21CC1)Nc1nccs1
InChIInChI=1S/C13H14N4OS/c18-11(16-12-14-5-6-19-12)7-9-10-1-2-13(3-4-13)17(10)8-15-9/h5-6,8H,1-4,7H2,(H,14,16,18)
InChIKeyPEUAOCKRXUBOST-UHFFFAOYSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide (CID 169087202) is 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1ncn2c1CCC21CC1)Nc1nccs1.
What is the InChIKey of 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PEUAOCKRXUBOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-11(16-12-14-5-6-19-12)7-9-10-1-2-13(3-4-13)17(10)8-15-9/h5-6,8H,1-4,7H2,(H,14,16,18).
What are the key properties of 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?
2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 274.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 169087202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).