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

C15H26N4OS — CID 103007055

IUPAC2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCc1ccnn1C)C(N)=S
InChIInChI=1S/C15H26N4OS/c1-4-8-15(9-5-2,13(16)21)14(20)17-10-6-12-7-11-18-19(12)3/h7,11H,4-6,8-10H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeySWBLRJAQNOLFNK-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.95
Rot. Bonds9

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

2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide (PubChem CID 103007055) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
PubChem CID103007055
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCc1ccnn1C)C(N)=S
InChIInChI=1S/C15H26N4OS/c1-4-8-15(9-5-2,13(16)21)14(20)17-10-6-12-7-11-18-19(12)3/h7,11H,4-6,8-10H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeySWBLRJAQNOLFNK-UHFFFAOYSA-N
XLogP1.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.95
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-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103007035
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide
CID 76989091
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103010119
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide (CID 103007055) is 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide is CCCC(CCC)(C(=O)NCCc1ccnn1C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide?
The InChIKey is SWBLRJAQNOLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-8-15(9-5-2,13(16)21)14(20)17-10-6-12-7-11-18-19(12)3/h7,11H,4-6,8-10H2,1-3H3,(H2,16,21)(H,17,20).
What are the key properties of 2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide?
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide has a molecular weight of 310.47 g/mol, XLogP of 1.95, 9 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]-2-propylpentanamide is sourced from PubChem (CID 103007055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).