5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine

C10H19N3S — CID 103359899

IUPAC5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1cc(N)ns1
InChIInChI=1S/C10H19N3S/c1-4-7(2)5-8(3)12-10-6-9(11)13-14-10/h6-8,12H,4-5H2,1-3H3,(H2,11,13)
InChIKeyDOGPRLVAFODTIK-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.96
Rot. Bonds5

About 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine

5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359899) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359899
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1cc(N)ns1
InChIInChI=1S/C10H19N3S/c1-4-7(2)5-8(3)12-10-6-9(11)13-14-10/h6-8,12H,4-5H2,1-3H3,(H2,11,13)
InChIKeyDOGPRLVAFODTIK-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine (CID 103359899) is 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine is CCC(C)CC(C)Nc1cc(N)ns1.
What is the InChIKey of 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is DOGPRLVAFODTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-7(2)5-8(3)12-10-6-9(11)13-14-10/h6-8,12H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 213.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).