N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C19H17N3O2S2 — CID 55389027

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESNC(=O)CSc1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O2S2/c20-17(23)12-25-16-9-5-4-8-15(16)22-18(24)10-14-11-26-19(21-14)13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H2,20,23)(H,22,24)
InChIKeyIPEYVIRZKGPRAQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 55389027) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID55389027
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESNC(=O)CSc1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O2S2/c20-17(23)12-25-16-9-5-4-8-15(16)22-18(24)10-14-11-26-19(21-14)13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H2,20,23)(H,22,24)
InChIKeyIPEYVIRZKGPRAQ-UHFFFAOYSA-N
XLogP3.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206176
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134046181
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46586964
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 55389027) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is NC(=O)CSc1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IPEYVIRZKGPRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c20-17(23)12-25-16-9-5-4-8-15(16)22-18(24)10-14-11-26-19(21-14)13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H2,20,23)(H,22,24).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55389027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).