5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine

C9H17N3OS — CID 103378404

IUPAC5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCC(C)(C)C
InChIInChI=1S/C9H17N3OS/c1-9(2,3)5-11-8-6(13-4)7(10)12-14-8/h11H,5H2,1-4H3,(H2,10,12)
InChIKeyXZMPFNCCZBPXTB-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.19
Rot. Bonds3

About 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine

5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine (PubChem CID 103378404) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
PubChem CID103378404
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCC(C)(C)C
InChIInChI=1S/C9H17N3OS/c1-9(2,3)5-11-8-6(13-4)7(10)12-14-8/h11H,5H2,1-4H3,(H2,10,12)
InChIKeyXZMPFNCCZBPXTB-UHFFFAOYSA-N
XLogP2.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116
4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine
CID 103384397
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162
4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103383188
5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378303

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine (CID 103378404) is 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCC(C)(C)C.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The InChIKey is XZMPFNCCZBPXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,3)5-11-8-6(13-4)7(10)12-14-8/h11H,5H2,1-4H3,(H2,10,12).
What are the key properties of 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine?
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine has a molecular weight of 215.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).