N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C15H16N6O3S2 — CID 23962702

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3nnnn3C)n2)cc1OC
InChIInChI=1S/C15H16N6O3S2/c1-21-15(18-19-20-21)26-8-13(22)17-14-16-10(7-25-14)9-4-5-11(23-2)12(6-9)24-3/h4-7H,8H2,1-3H3,(H,16,17,22)
InChIKeyVPXFQIUXZOBCIS-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.08
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 23962702) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID23962702
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3nnnn3C)n2)cc1OC
InChIInChI=1S/C15H16N6O3S2/c1-21-15(18-19-20-21)26-8-13(22)17-14-16-10(7-25-14)9-4-5-11(23-2)12(6-9)24-3/h4-7H,8H2,1-3H3,(H,16,17,22)
InChIKeyVPXFQIUXZOBCIS-UHFFFAOYSA-N
XLogP2.08
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
N~2~-[2-(3,4-dimethoxyphenyl)ethyl]-4'-methyl-4,5'-bi-1,3-thiazole-2,2'-diamine
CID 1108286
2-[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 654599
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 735048
N-({[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}carbonothioyl)butanamide
CID 802145
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 838730
N-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)cyclopropanecarboxamide
CID 861897
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-thioxoimidazolidin-4-one
CID 898321
N-[4-(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3-thiazol-4-YL)phenyl]acetamide
CID 1092450
(E)-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1856310

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 23962702) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1ccc(-c2csc(NC(=O)CSc3nnnn3C)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is VPXFQIUXZOBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-21-15(18-19-20-21)26-8-13(22)17-14-16-10(7-25-14)9-4-5-11(23-2)12(6-9)24-3/h4-7H,8H2,1-3H3,(H,16,17,22).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 392.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 23962702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).