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

C11H21N3S — CID 103359897

IUPAC4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1snc(N)c1C
InChIInChI=1S/C11H21N3S/c1-5-7(2)6-8(3)13-11-9(4)10(12)14-15-11/h7-8,13H,5-6H2,1-4H3,(H2,12,14)
InChIKeyDANRKOPYMMTBRY-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.27
Rot. Bonds5

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

4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359897) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359897
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1snc(N)c1C
InChIInChI=1S/C11H21N3S/c1-5-7(2)6-8(3)13-11-9(4)10(12)14-15-11/h7-8,13H,5-6H2,1-4H3,(H2,12,14)
InChIKeyDANRKOPYMMTBRY-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine (CID 103359897) is 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine is CCC(C)CC(C)Nc1snc(N)c1C.
What is the InChIKey of 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is DANRKOPYMMTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-7(2)6-8(3)13-11-9(4)10(12)14-15-11/h7-8,13H,5-6H2,1-4H3,(H2,12,14).
What are the key properties of 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 227.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).