N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

C19H19N3O2S2 — CID 1401114

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(Cc2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-13-3-9-16(10-4-13)25-12-17(23)20-19-22-21-18(26-19)11-14-5-7-15(24-2)8-6-14/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyQKMCHHTYQMNVIO-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.18
Rot. Bonds7

About N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 1401114) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID1401114
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(Cc2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-13-3-9-16(10-4-13)25-12-17(23)20-19-22-21-18(26-19)11-14-5-7-15(24-2)8-6-14/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyQKMCHHTYQMNVIO-UHFFFAOYSA-N
XLogP4.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
methyl [(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 666511
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 1077868
N-[5-[(E)-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl]-2-(p-tolylthio)acetamide
CID 5931256
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-thiophen-2-yl-acetamide
CID 646403
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 648470
2-(4-methoxyphenyl)-N-[5-[4-[5-[[2-(4-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89639619
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 648241
2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 777645
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 1214326

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (CID 1401114) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is COc1ccc(Cc2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is QKMCHHTYQMNVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13-3-9-16(10-4-13)25-12-17(23)20-19-22-21-18(26-19)11-14-5-7-15(24-2)8-6-14/h3-10H,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 385.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 1401114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).