methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H16N6O4S2 — CID 3189441

IUPACmethyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)nc1C
InChIInChI=1S/C16H16N6O4S2/c1-9-13(14(24)26-3)28-15(17-9)18-12(23)8-27-16-19-20-21-22(16)10-5-4-6-11(7-10)25-2/h4-7H,8H2,1-3H3,(H,17,18,23)
InChIKeyBZRSNRXZTNBHIT-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.95
Rot. Bonds7

About methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 3189441) has the molecular formula C16H16N6O4S2 and a molecular weight of 420.48 g/mol. Its IUPAC name is methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID3189441
Molecular FormulaC16H16N6O4S2
Molecular Weight420.48 g/mol
Exact Mass420.07
IUPAC Namemethyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)nc1C
InChIInChI=1S/C16H16N6O4S2/c1-9-13(14(24)26-3)28-15(17-9)18-12(23)8-27-16-19-20-21-22(16)10-5-4-6-11(7-10)25-2/h4-7H,8H2,1-3H3,(H,17,18,23)
InChIKeyBZRSNRXZTNBHIT-UHFFFAOYSA-N
XLogP1.95
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
ethyl 4-methyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate
CID 2171196
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 645265
2-{2-[1-(4-Ethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 646280
2-{2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 652258
2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 1152813
2-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 3189490
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pent-4-enamide
CID 11958455
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide
CID 11958500
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
CID 11958607
N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pent-4-enamide
CID 11958608
N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11210608

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 3189441) is methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)nc1C.
What is the InChIKey of methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BZRSNRXZTNBHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S2/c1-9-13(14(24)26-3)28-15(17-9)18-12(23)8-27-16-19-20-21-22(16)10-5-4-6-11(7-10)25-2/h4-7H,8H2,1-3H3,(H,17,18,23).
What are the key properties of methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 420.48 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3189441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).