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

C15H16N2O3S2 — CID 35163203

IUPACmethyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)CSCc2ccccc2)n1
InChIInChI=1S/C15H16N2O3S2/c1-20-14(19)7-12-9-22-15(16-12)17-13(18)10-21-8-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,16,17,18)
InChIKeyTXGPVLZDBWYRRL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.73
Rot. Bonds7

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

methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 35163203) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID35163203
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Namemethyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)CSCc2ccccc2)n1
InChIInChI=1S/C15H16N2O3S2/c1-20-14(19)7-12-9-22-15(16-12)17-13(18)10-21-8-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,16,17,18)
InChIKeyTXGPVLZDBWYRRL-UHFFFAOYSA-N
XLogP2.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 47070400
methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814134
methyl 2-[2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 38984448
methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80574916
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731
methyl 2-[2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8837204
methyl 2-[2-[[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 35193108

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 35163203) is methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)CSCc2ccccc2)n1.
What is the InChIKey of methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is TXGPVLZDBWYRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-20-14(19)7-12-9-22-15(16-12)17-13(18)10-21-8-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,16,17,18).
What are the key properties of methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 336.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 35163203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).