N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C7H14N2S — CID 3818443

IUPACN-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CNC1=NCCS1
InChIInChI=1S/C7H14N2S/c1-6(2)5-9-7-8-3-4-10-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyKJGHZGVLJOTEJJ-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.33
Rot. Bonds2

About N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3818443) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3818443
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CNC1=NCCS1
InChIInChI=1S/C7H14N2S/c1-6(2)5-9-7-8-3-4-10-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyKJGHZGVLJOTEJJ-UHFFFAOYSA-N
XLogP1.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3818443) is N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CNC1=NCCS1.
What is the InChIKey of N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KJGHZGVLJOTEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(2)5-9-7-8-3-4-10-7/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 158.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3818443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).