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

C9H17N3S — CID 61221303

IUPACN-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCCC(NC2=NCCS2)C1
InChIInChI=1S/C9H17N3S/c1-12-5-2-3-8(7-12)11-9-10-4-6-13-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyKEDGUWSMFXONDS-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.77
Rot. Bonds1

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

N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61221303) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61221303
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCCC(NC2=NCCS2)C1
InChIInChI=1S/C9H17N3S/c1-12-5-2-3-8(7-12)11-9-10-4-6-13-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyKEDGUWSMFXONDS-UHFFFAOYSA-N
XLogP0.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61221303) is N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is CN1CCCC(NC2=NCCS2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KEDGUWSMFXONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-12-5-2-3-8(7-12)11-9-10-4-6-13-9/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61221303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).