1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide

C15H20N2OS — CID 80592389

IUPAC1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C15H20N2OS/c1-9(2)11-6-4-5-10(3)12(11)17-14(18)15(7-8-15)13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyCRHNPFXKJGFTHG-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.12
Rot. Bonds4

About 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 80592389) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID80592389
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C15H20N2OS/c1-9(2)11-6-4-5-10(3)12(11)17-14(18)15(7-8-15)13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyCRHNPFXKJGFTHG-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254
1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982167
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982192
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096
methyl 2-[[1-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982184
4-carbamothioyl-N-(2-chloro-6-methylphenyl)oxane-4-carboxamide
CID 66255526
1-N-(1,3-benzodioxol-5-yl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982189
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-N-(3-chloro-4-fluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982168
2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 51297991

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 80592389) is 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is CRHNPFXKJGFTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9(2)11-6-4-5-10(3)12(11)17-14(18)15(7-8-15)13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80592389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).