5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine

C8H15N3OS — CID 103363859

IUPAC5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCOCCCNc1snc(N)c1C
InChIInChI=1S/C8H15N3OS/c1-6-7(9)11-13-8(6)10-4-3-5-12-2/h10H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGBYMGVQWSRBJQA-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.48
Rot. Bonds5

About 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103363859) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103363859
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCOCCCNc1snc(N)c1C
InChIInChI=1S/C8H15N3OS/c1-6-7(9)11-13-8(6)10-4-3-5-12-2/h10H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGBYMGVQWSRBJQA-UHFFFAOYSA-N
XLogP1.48
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 114165618
1-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2-methylpropan-2-ol
CID 103359829
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327709
5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363934
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
CID 103365343

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103363859) is 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine is COCCCNc1snc(N)c1C.
What is the InChIKey of 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is GBYMGVQWSRBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6-7(9)11-13-8(6)10-4-3-5-12-2/h10H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 201.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).