4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2S — CID 43439584

IUPAC4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NC(C)CS1
InChIInChI=1S/C9H18N2S/c1-4-8(5-2)11-9-10-7(3)6-12-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyJECGVCWJGGRUNV-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.26
Rot. Bonds3

About 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439584) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439584
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NC(C)CS1
InChIInChI=1S/C9H18N2S/c1-4-8(5-2)11-9-10-7(3)6-12-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyJECGVCWJGGRUNV-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439584) is 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)NC1=NC(C)CS1.
What is the InChIKey of 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JECGVCWJGGRUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-4-8(5-2)11-9-10-7(3)6-12-9/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).