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

C14H17N3OS2 — CID 43249738

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSc2cnc(N)s2)cc1
InChIInChI=1S/C14H17N3OS2/c1-2-3-10-4-6-11(7-5-10)17-12(18)9-19-13-8-16-14(15)20-13/h4-8H,2-3,9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyNPUCUVSWXIVCNE-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.41
Rot. Bonds6

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

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide (PubChem CID 43249738) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
PubChem CID43249738
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSc2cnc(N)s2)cc1
InChIInChI=1S/C14H17N3OS2/c1-2-3-10-4-6-11(7-5-10)17-12(18)9-19-13-8-16-14(15)20-13/h4-8H,2-3,9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyNPUCUVSWXIVCNE-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43250054
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43301596
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 24701812
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
CID 106679325
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 24691872
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 43250123
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propylphenyl)acetamide
CID 24571663
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
CID 43249743
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide (CID 43249738) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CSc2cnc(N)s2)cc1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide?
The InChIKey is NPUCUVSWXIVCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-2-3-10-4-6-11(7-5-10)17-12(18)9-19-13-8-16-14(15)20-13/h4-8H,2-3,9H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 43249738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).