5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine

C13H21N3S — CID 103359675

IUPAC5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESCC12CCC(C1)C(C)(C)C2Nc1cc(N)ns1
InChIInChI=1S/C13H21N3S/c1-12(2)8-4-5-13(3,7-8)11(12)15-10-6-9(14)16-17-10/h6,8,11,15H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyVNXHGAFJHIMGNJ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.35
Rot. Bonds2

About 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine

5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359675) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
PubChem CID103359675
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESCC12CCC(C1)C(C)(C)C2Nc1cc(N)ns1
InChIInChI=1S/C13H21N3S/c1-12(2)8-4-5-13(3,7-8)11(12)15-10-6-9(14)16-17-10/h6,8,11,15H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyVNXHGAFJHIMGNJ-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359641
4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359671
5-N-(2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359684
5-N-(3,5-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359753
5-N-(3,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359762
5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359772
5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103359793
5-N-(3-ethyl-2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103359802
5-N-(2-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359954
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2-thiazole-3,5-diamine
CID 103361648
5-N-(2,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103362315
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362961

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (CID 103359675) is 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is CC12CCC(C1)C(C)(C)C2Nc1cc(N)ns1.
What is the InChIKey of 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The InChIKey is VNXHGAFJHIMGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-12(2)8-4-5-13(3,7-8)11(12)15-10-6-9(14)16-17-10/h6,8,11,15H,4-5,7H2,1-3H3,(H2,14,16).
What are the key properties of 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine has a molecular weight of 251.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).