3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide

C13H15N3OS2 — CID 43250458

IUPAC3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide
SMILESCc1nc(N)sc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3OS2/c1-9-12(19-13(14)15-9)18-8-7-11(17)16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15)(H,16,17)
InChIKeyVRNCLIQWLXNIIM-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.15
Rot. Bonds5

About 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide

3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide (PubChem CID 43250458) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide
PubChem CID43250458
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide
SMILESCc1nc(N)sc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3OS2/c1-9-12(19-13(14)15-9)18-8-7-11(17)16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15)(H,16,17)
InChIKeyVRNCLIQWLXNIIM-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 62625727
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
CID 79222133
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43250576
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 43250244
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 17383488
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43250337
N-phenyl-3-propan-2-ylsulfanylpropanamide
CID 163921680
3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 46683632
3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 51302797

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide?
The IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide (CID 43250458) is 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide is Cc1nc(N)sc1SCCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide?
The InChIKey is VRNCLIQWLXNIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9-12(19-13(14)15-9)18-8-7-11(17)16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide?
3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide has a molecular weight of 293.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 43250458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).