2-carbamothioyl-N-pyrimidin-5-ylpentanamide

C10H14N4OS — CID 107588767

IUPAC2-carbamothioyl-N-pyrimidin-5-ylpentanamide
SMILESCCCC(C(=O)Nc1cncnc1)C(N)=S
InChIInChI=1S/C10H14N4OS/c1-2-3-8(9(11)16)10(15)14-7-4-12-6-13-5-7/h4-6,8H,2-3H2,1H3,(H2,11,16)(H,14,15)
InChIKeyCKELPJKPXSFPMO-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.12
Rot. Bonds5

About 2-carbamothioyl-N-pyrimidin-5-ylpentanamide

2-carbamothioyl-N-pyrimidin-5-ylpentanamide (PubChem CID 107588767) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-carbamothioyl-N-pyrimidin-5-ylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-pyrimidin-5-ylpentanamide
PubChem CID107588767
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-carbamothioyl-N-pyrimidin-5-ylpentanamide
SMILESCCCC(C(=O)Nc1cncnc1)C(N)=S
InChIInChI=1S/C10H14N4OS/c1-2-3-8(9(11)16)10(15)14-7-4-12-6-13-5-7/h4-6,8H,2-3H2,1H3,(H2,11,16)(H,14,15)
InChIKeyCKELPJKPXSFPMO-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-(3-methyl-4-pyridinyl)pentanamide
CID 63672053
2-carbamothioyl-N-[6-(trifluoromethyl)-3-pyridinyl]pentanamide
CID 82817487
2-(N'-hydroxycarbamimidoyl)-N-pyrimidin-5-ylbutanamide
CID 107589500
2-carbamothioyl-N-(4-fluoro-3-methoxyphenyl)pentanamide
CID 114839881
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600470
N-(2-bromo-5-methylphenyl)-2-carbamothioylpentanamide
CID 82757577
2-carbamothioyl-N-(5-iodo-2-methylphenyl)pentanamide
CID 114257453
2-carbamothioyl-N-(2-chloro-4-iodophenyl)pentanamide
CID 107605669
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
CID 107588618
N-(2-bromo-6-fluorophenyl)-2-carbamothioylpentanamide
CID 107600452
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-pyrimidin-5-ylpentanamide?
The IUPAC name of 2-carbamothioyl-N-pyrimidin-5-ylpentanamide (CID 107588767) is 2-carbamothioyl-N-pyrimidin-5-ylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-pyrimidin-5-ylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-pyrimidin-5-ylpentanamide is CCCC(C(=O)Nc1cncnc1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-pyrimidin-5-ylpentanamide?
The InChIKey is CKELPJKPXSFPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-3-8(9(11)16)10(15)14-7-4-12-6-13-5-7/h4-6,8H,2-3H2,1H3,(H2,11,16)(H,14,15).
What are the key properties of 2-carbamothioyl-N-pyrimidin-5-ylpentanamide?
2-carbamothioyl-N-pyrimidin-5-ylpentanamide has a molecular weight of 238.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-pyrimidin-5-ylpentanamide is sourced from PubChem (CID 107588767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).