2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate

C13H11N2O3S2- — CID 6932823

IUPAC2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(NC(=O)CSc2ccccc2)n1
InChIInChI=1S/C13H12N2O3S2/c16-11(8-19-10-4-2-1-3-5-10)15-13-14-9(7-20-13)6-12(17)18/h1-5,7H,6,8H2,(H,17,18)(H,14,15,16)/p-1
InChIKeyBVHZUXOZVRGVON-UHFFFAOYSA-M
MW307.38 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate

2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 6932823) has the molecular formula C13H11N2O3S2- and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID6932823
Molecular FormulaC13H11N2O3S2-
Molecular Weight307.38 g/mol
Exact Mass307.02
IUPAC Name2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(NC(=O)CSc2ccccc2)n1
InChIInChI=1S/C13H12N2O3S2/c16-11(8-19-10-4-2-1-3-5-10)15-13-14-9(7-20-13)6-12(17)18/h1-5,7H,6,8H2,(H,17,18)(H,14,15,16)/p-1
InChIKeyBVHZUXOZVRGVON-UHFFFAOYSA-M
XLogP1.17
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate
CID 7195933
2-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 17436848
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
ethyl 2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2382096
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 7021215
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 35163203
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 8609952
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 51258070
N-[4-[[(Z)-[(5-methylthiadiazol-4-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 54578644

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 6932823) is 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(NC(=O)CSc2ccccc2)n1.
What is the InChIKey of 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is BVHZUXOZVRGVON-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2O3S2/c16-11(8-19-10-4-2-1-3-5-10)15-13-14-9(7-20-13)6-12(17)18/h1-5,7H,6,8H2,(H,17,18)(H,14,15,16)/p-1.
What are the key properties of 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 307.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 6932823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).