2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide

C14H23N3OS2 — CID 63283834

IUPAC2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1scnc1C)C(N)=S
InChIInChI=1S/C14H23N3OS2/c1-4-6-14(7-5-2,12(15)19)13(18)16-8-11-10(3)17-9-20-11/h9H,4-8H2,1-3H3,(H2,15,19)(H,16,18)
InChIKeyUMZZAEPNGBVDFJ-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.94
Rot. Bonds8

About 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide

2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide (PubChem CID 63283834) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide
PubChem CID63283834
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1scnc1C)C(N)=S
InChIInChI=1S/C14H23N3OS2/c1-4-6-14(7-5-2,12(15)19)13(18)16-8-11-10(3)17-9-20-11/h9H,4-8H2,1-3H3,(H2,15,19)(H,16,18)
InChIKeyUMZZAEPNGBVDFJ-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide (CID 63283834) is 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide is CCCC(CCC)(C(=O)NCc1scnc1C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide?
The InChIKey is UMZZAEPNGBVDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-4-6-14(7-5-2,12(15)19)13(18)16-8-11-10(3)17-9-20-11/h9H,4-8H2,1-3H3,(H2,15,19)(H,16,18).
What are the key properties of 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide?
2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide has a molecular weight of 313.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 63283834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).