5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine

C12H15N3O2S — CID 103364033

IUPAC5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1ccc(CNc2cc(N)ns2)cc1OC
InChIInChI=1S/C12H15N3O2S/c1-16-9-4-3-8(5-10(9)17-2)7-14-12-6-11(13)15-18-12/h3-6,14H,7H2,1-2H3,(H2,13,15)
InChIKeyXLRJFWUYNZYJKT-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.35
Rot. Bonds5

About 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine

5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364033) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103364033
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1ccc(CNc2cc(N)ns2)cc1OC
InChIInChI=1S/C12H15N3O2S/c1-16-9-4-3-8(5-10(9)17-2)7-14-12-6-11(13)15-18-12/h3-6,14H,7H2,1-2H3,(H2,13,15)
InChIKeyXLRJFWUYNZYJKT-UHFFFAOYSA-N
XLogP2.35
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936
5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine
CID 516684
5-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397195
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
5-bromo-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80787012
N-[(3-bromo-4-methoxyphenyl)methyl]thiadiazol-5-amine
CID 107649676
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine (CID 103364033) is 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine is COc1ccc(CNc2cc(N)ns2)cc1OC.
What is the InChIKey of 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is XLRJFWUYNZYJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-16-9-4-3-8(5-10(9)17-2)7-14-12-6-11(13)15-18-12/h3-6,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 265.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).