1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide

C10H14N4OS — CID 80590807

IUPAC1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H14N4OS/c1-14(6-7-12-4-5-13-7)9(15)10(2-3-10)8(11)16/h4-5H,2-3,6H2,1H3,(H2,11,16)(H,12,13)
InChIKeyDPXWLHNVQCWBLM-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.43
Rot. Bonds4

About 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide

1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 80590807) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
PubChem CID80590807
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H14N4OS/c1-14(6-7-12-4-5-13-7)9(15)10(2-3-10)8(11)16/h4-5H,2-3,6H2,1H3,(H2,11,16)(H,12,13)
InChIKeyDPXWLHNVQCWBLM-UHFFFAOYSA-N
XLogP0.43
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 80591308
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 64516909
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide
CID 113430849
1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80590042
1-carbamothioyl-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80589192
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 80589184
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide (CID 80590807) is 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is DPXWLHNVQCWBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14(6-7-12-4-5-13-7)9(15)10(2-3-10)8(11)16/h4-5H,2-3,6H2,1H3,(H2,11,16)(H,12,13).
What are the key properties of 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide?
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 80590807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).