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

C19H17N3O2S2 — CID 51258070

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
SMILESNC(=O)Cc1csc(NC(=O)C(Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H17N3O2S2/c20-16(23)11-14-12-25-19(21-14)22-18(24)17(13-7-3-1-4-8-13)26-15-9-5-2-6-10-15/h1-10,12,17H,11H2,(H2,20,23)(H,21,22,24)
InChIKeyCDCABMBZKMOJOS-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.64
Rot. Bonds7

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

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 51258070) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID51258070
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
SMILESNC(=O)Cc1csc(NC(=O)C(Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H17N3O2S2/c20-16(23)11-14-12-25-19(21-14)22-18(24)17(13-7-3-1-4-8-13)26-15-9-5-2-6-10-15/h1-10,12,17H,11H2,(H2,20,23)(H,21,22,24)
InChIKeyCDCABMBZKMOJOS-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18912468
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24584497
ethyl 2-[2-[[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19299228
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 3254846
ethyl 2-[2-[[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18913116
ethyl 2-[2-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 21170198
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 5211016
ethyl 2-[2-[[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19298580
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
2-[2-[(2-methoxy-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62032289

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide (CID 51258070) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide is NC(=O)Cc1csc(NC(=O)C(Sc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is CDCABMBZKMOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c20-16(23)11-14-12-25-19(21-14)22-18(24)17(13-7-3-1-4-8-13)26-15-9-5-2-6-10-15/h1-10,12,17H,11H2,(H2,20,23)(H,21,22,24).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 383.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 51258070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).