2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide

C12H20N4OS — CID 103007035

IUPAC2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCc1ccnn1C)C(N)=S
InChIInChI=1S/C12H20N4OS/c1-3-4-10(11(13)18)12(17)14-7-5-9-6-8-15-16(9)2/h6,8,10H,3-5,7H2,1-2H3,(H2,13,18)(H,14,17)
InChIKeyIUGYQBWAHOTAOJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.78
Rot. Bonds7

About 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide

2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide (PubChem CID 103007035) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
PubChem CID103007035
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCc1ccnn1C)C(N)=S
InChIInChI=1S/C12H20N4OS/c1-3-4-10(11(13)18)12(17)14-7-5-9-6-8-15-16(9)2/h6,8,10H,3-5,7H2,1-2H3,(H2,13,18)(H,14,17)
InChIKeyIUGYQBWAHOTAOJ-UHFFFAOYSA-N
XLogP0.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.78
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-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103010119
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
CID 103007055
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide (CID 103007035) is 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide is CCCC(C(=O)NCCc1ccnn1C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide?
The InChIKey is IUGYQBWAHOTAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-4-10(11(13)18)12(17)14-7-5-9-6-8-15-16(9)2/h6,8,10H,3-5,7H2,1-2H3,(H2,13,18)(H,14,17).
What are the key properties of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide?
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide has a molecular weight of 268.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 103007035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).