5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine

C9H17N3S — CID 103365523

IUPAC5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)(C)CCNc1cc(N)ns1
InChIInChI=1S/C9H17N3S/c1-9(2,3)4-5-11-8-6-7(10)12-13-8/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyAQXUAVFDPZYULU-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.57
Rot. Bonds3

About 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine

5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365523) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103365523
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)(C)CCNc1cc(N)ns1
InChIInChI=1S/C9H17N3S/c1-9(2,3)4-5-11-8-6-7(10)12-13-8/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyAQXUAVFDPZYULU-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
CID 103364233
5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361037
5-N-(2-cyclopentylethyl)-1,2-thiazole-3,5-diamine
CID 103364211
5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide
CID 106242101
5-(2,2-dimethylhydrazinyl)-1,2-thiazol-3-amine
CID 103364841
5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
CID 103360202
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412755
5-N-(2-morpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363693
N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 103359211
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-thiazole-3,5-diamine
CID 103365933
2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide
CID 103365275
5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
CID 107819500

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine (CID 103365523) is 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine is CC(C)(C)CCNc1cc(N)ns1.
What is the InChIKey of 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is AQXUAVFDPZYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-9(2,3)4-5-11-8-6-7(10)12-13-8/h6,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine?
5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 199.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).