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

C9H17N3S — CID 103359358

IUPAC5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC(C)(C)C
InChIInChI=1S/C9H17N3S/c1-6-7(10)12-13-8(6)11-5-9(2,3)4/h11H,5H2,1-4H3,(H2,10,12)
InChIKeyLKTODWYEFFOBIH-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.49
Rot. Bonds2

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

5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359358) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359358
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC(C)(C)C
InChIInChI=1S/C9H17N3S/c1-6-7(10)12-13-8(6)11-5-9(2,3)4/h11H,5H2,1-4H3,(H2,10,12)
InChIKeyLKTODWYEFFOBIH-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-5-(methylamino)isothiazole-4-carbonitrile
CID 14171361
3-Amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile
CID 14171363
3-Amino-5-(butylamino)-1,2-thiazole-4-carbonitrile
CID 14171366
5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360596
4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360697
5-N-ethyl-4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360706
4-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360727
4-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361148
5-N,4-dimethyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363222
4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363598
5-N-(2,2-difluoroethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103364765
4-methyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364950

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359358) is 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC(C)(C)C.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is LKTODWYEFFOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6-7(10)12-13-8(6)11-5-9(2,3)4/h11H,5H2,1-4H3,(H2,10,12).
What are the key properties of 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 199.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylpropyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).