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

C8H15N3S — CID 103359361

IUPAC5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)(C)CNc1cc(N)ns1
InChIInChI=1S/C8H15N3S/c1-8(2,3)5-10-7-4-6(9)11-12-7/h4,10H,5H2,1-3H3,(H2,9,11)
InChIKeyWKFSDHWPPAJPEH-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.18
Rot. Bonds2

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

5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359361) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103359361
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)(C)CNc1cc(N)ns1
InChIInChI=1S/C8H15N3S/c1-8(2,3)5-10-7-4-6(9)11-12-7/h4,10H,5H2,1-3H3,(H2,9,11)
InChIKeyWKFSDHWPPAJPEH-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine (CID 103359361) is 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine is CC(C)(C)CNc1cc(N)ns1.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is WKFSDHWPPAJPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-8(2,3)5-10-7-4-6(9)11-12-7/h4,10H,5H2,1-3H3,(H2,9,11).
What are the key properties of 5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine?
5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 185.30 g/mol, XLogP of 2.18, 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)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).