1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

C14H17N3OS — CID 8933374

IUPAC1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-7-12(10(2)17(9)11-3-4-11)13(18)8-16-5-6-19-14(16)15/h5-7,11,15H,3-4,8H2,1-2H3/b15-14-
InChIKeyHXIHCGDMEWRPIX-PFONDFGASA-N
MW275.38 g/mol
LogP2.67
Rot. Bonds4

About 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (PubChem CID 8933374) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
PubChem CID8933374
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-7-12(10(2)17(9)11-3-4-11)13(18)8-16-5-6-19-14(16)15/h5-7,11,15H,3-4,8H2,1-2H3/b15-14-
InChIKeyHXIHCGDMEWRPIX-PFONDFGASA-N
XLogP2.67
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (CID 8933374) is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is [H]/N=c1\sccn1CC(=O)c1cc(C)n(C2CC2)c1C.
What is the InChIKey of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The InChIKey is HXIHCGDMEWRPIX-PFONDFGASA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-7-12(10(2)17(9)11-3-4-11)13(18)8-16-5-6-19-14(16)15/h5-7,11,15H,3-4,8H2,1-2H3/b15-14-.
What are the key properties of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone has a molecular weight of 275.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 8933374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).