1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide

C14H17FN2OS — CID 55037907

IUPAC1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C14H17FN2OS/c15-11-5-3-10(4-6-11)9-17-13(18)14(12(16)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H2,16,19)(H,17,18)
InChIKeyTWIQIIDVGHBSBY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.29
Rot. Bonds4

About 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide

1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 55037907) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID55037907
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C14H17FN2OS/c15-11-5-3-10(4-6-11)9-17-13(18)14(12(16)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H2,16,19)(H,17,18)
InChIKeyTWIQIIDVGHBSBY-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.29
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-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592729
N-[(4-fluorophenyl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919837
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
1-carbamothioyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592746
ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 44541628
4-carbamothioyl-N-[(3-chloro-4-fluorophenyl)methyl]oxane-4-carboxamide
CID 62539440
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-carbamothioyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 62991256
1-N'-tert-butyl-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975813
1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970806
1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 63824661
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide (CID 55037907) is 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide is NC(=S)C1(C(=O)NCc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is TWIQIIDVGHBSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c15-11-5-3-10(4-6-11)9-17-13(18)14(12(16)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H2,16,19)(H,17,18).
What are the key properties of 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide?
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55037907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).