2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide

C10H15N3S — CID 65498532

IUPAC2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESCc1nccn1CC1(CC(N)=S)CC1
InChIInChI=1S/C10H15N3S/c1-8-12-4-5-13(8)7-10(2-3-10)6-9(11)14/h4-5H,2-3,6-7H2,1H3,(H2,11,14)
InChIKeyAPIHVUFAKKQNSX-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide

2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 65498532) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID65498532
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESCc1nccn1CC1(CC(N)=S)CC1
InChIInChI=1S/C10H15N3S/c1-8-12-4-5-13(8)7-10(2-3-10)6-9(11)14/h4-5H,2-3,6-7H2,1H3,(H2,11,14)
InChIKeyAPIHVUFAKKQNSX-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide
CID 65497674
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 84657338
2-[1-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498105
1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
CID 46989541
1-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(3-methylthiophen-2-yl)triazole
CID 56714734
N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide
CID 135110526
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 77092907
1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazole-3-carbothioamide
CID 62949442
1-[(1-methylcyclobutyl)methyl]imidazole-2-carbothioamide
CID 130601758
3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91782124
cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
CID 131949598
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide (CID 65498532) is 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide is Cc1nccn1CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is APIHVUFAKKQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-12-4-5-13(8)7-10(2-3-10)6-9(11)14/h4-5H,2-3,6-7H2,1H3,(H2,11,14).
What are the key properties of 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 209.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).