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

C13H16ClN3OS — CID 103360798

IUPAC5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3OS/c1-3-18-11-12(15)16-19-13(11)17(2)8-9-5-4-6-10(14)7-9/h4-7H,3,8H2,1-2H3,(H2,15,16)
InChIKeyACVYWVYDJLCORS-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.41
Rot. Bonds5

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

5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103360798) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103360798
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3OS/c1-3-18-11-12(15)16-19-13(11)17(2)8-9-5-4-6-10(14)7-9/h4-7H,3,8H2,1-2H3,(H2,15,16)
InChIKeyACVYWVYDJLCORS-UHFFFAOYSA-N
XLogP3.41
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103381362
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
4-N-[(3-chlorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794023
ethyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103380476
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103360798) is 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is ACVYWVYDJLCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-3-18-11-12(15)16-19-13(11)17(2)8-9-5-4-6-10(14)7-9/h4-7H,3,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 297.81 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).