3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide

C15H18N2OS2 — CID 107025328

IUPAC3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
SMILESCC(C)c1csc(NC(=O)C(S)Cc2ccccc2)n1
InChIInChI=1S/C15H18N2OS2/c1-10(2)12-9-20-15(16-12)17-14(18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,13,19H,8H2,1-2H3,(H,16,17,18)
InChIKeyGHXJXUVLJNBQIC-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.75
Rot. Bonds5

About 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide

3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide (PubChem CID 107025328) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
PubChem CID107025328
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
SMILESCC(C)c1csc(NC(=O)C(S)Cc2ccccc2)n1
InChIInChI=1S/C15H18N2OS2/c1-10(2)12-9-20-15(16-12)17-14(18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,13,19H,8H2,1-2H3,(H,16,17,18)
InChIKeyGHXJXUVLJNBQIC-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide
CID 107031808
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide?
The IUPAC name of 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide (CID 107025328) is 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide is CC(C)c1csc(NC(=O)C(S)Cc2ccccc2)n1.
What is the InChIKey of 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide?
The InChIKey is GHXJXUVLJNBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10(2)12-9-20-15(16-12)17-14(18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,13,19H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide?
3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide has a molecular weight of 306.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107025328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).