4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine

C9H16N2S2 — CID 107891696

IUPAC4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine
SMILESCCCC(C)Sc1sc(N)nc1C
InChIInChI=1S/C9H16N2S2/c1-4-5-6(2)12-8-7(3)11-9(10)13-8/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyNWESLUBOHVIDHN-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.31
Rot. Bonds4

About 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine

4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine (PubChem CID 107891696) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine
PubChem CID107891696
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Name4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine
SMILESCCCC(C)Sc1sc(N)nc1C
InChIInChI=1S/C9H16N2S2/c1-4-5-6(2)12-8-7(3)11-9(10)13-8/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyNWESLUBOHVIDHN-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine (CID 107891696) is 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine is CCCC(C)Sc1sc(N)nc1C.
What is the InChIKey of 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine?
The InChIKey is NWESLUBOHVIDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-4-5-6(2)12-8-7(3)11-9(10)13-8/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine?
4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine has a molecular weight of 216.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107891696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).