1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide

C14H19N3OS — CID 114956193

IUPAC1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
SMILESCc1ccncc1CNC(=O)C1(C(N)=S)CC(C)C1
InChIInChI=1S/C14H19N3OS/c1-9-5-14(6-9,12(15)19)13(18)17-8-11-7-16-4-3-10(11)2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyRUVAZWLYMZHBOS-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.71
Rot. Bonds4

About 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide

1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide (PubChem CID 114956193) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
PubChem CID114956193
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
SMILESCc1ccncc1CNC(=O)C1(C(N)=S)CC(C)C1
InChIInChI=1S/C14H19N3OS/c1-9-5-14(6-9,12(15)19)13(18)17-8-11-7-16-4-3-10(11)2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyRUVAZWLYMZHBOS-UHFFFAOYSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.71
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-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80592963
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methyl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 114957243
1-carbamothioyl-3-methyl-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80592616
1-carbamothioyl-3-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80589727
1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 114955945
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 114955964
1-carbamothioyl-3-methyl-N-pyrimidin-5-ylcyclobutane-1-carboxamide
CID 107588762
3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114957079
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114956009
1-carbamothioyl-N-[2-(4-chlorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80589204
ethyl 2-[(1-carbamothioyl-3-methylcyclobutanecarbonyl)amino]acetate
CID 80590232

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide (CID 114956193) is 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide is Cc1ccncc1CNC(=O)C1(C(N)=S)CC(C)C1.
What is the InChIKey of 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is RUVAZWLYMZHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-5-14(6-9,12(15)19)13(18)17-8-11-7-16-4-3-10(11)2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide?
1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114956193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).