5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine

C12H15N3OS — CID 103381362

IUPAC5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(C)Cc1ccccc1
InChIInChI=1S/C12H15N3OS/c1-15(8-9-6-4-3-5-7-9)12-10(16-2)11(13)14-17-12/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyBAQKDPLTHKSXGE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.37
Rot. Bonds4

About 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103381362) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103381362
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(C)Cc1ccccc1
InChIInChI=1S/C12H15N3OS/c1-15(8-9-6-4-3-5-7-9)12-10(16-2)11(13)14-17-12/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyBAQKDPLTHKSXGE-UHFFFAOYSA-N
XLogP2.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354
5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361936
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103383326
4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361278
5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361490
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
ethyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103380476
5-N-[(4-bromophenyl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361892
3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 155123145

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103381362) is 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine is COc1c(N)nsc1N(C)Cc1ccccc1.
What is the InChIKey of 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is BAQKDPLTHKSXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(8-9-6-4-3-5-7-9)12-10(16-2)11(13)14-17-12/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 249.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).