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

C12H23N3S — CID 43148964

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CCCCN1CCCNC1=NCCS1
InChIInChI=1S/C12H23N3S/c1-11-5-2-3-8-15(11)9-4-6-13-12-14-7-10-16-12/h11H,2-10H2,1H3,(H,13,14)
InChIKeyVBCSNTGPBHQQLX-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.94
Rot. Bonds4

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

N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43148964) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43148964
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CCCCN1CCCNC1=NCCS1
InChIInChI=1S/C12H23N3S/c1-11-5-2-3-8-15(11)9-4-6-13-12-14-7-10-16-12/h11H,2-10H2,1H3,(H,13,14)
InChIKeyVBCSNTGPBHQQLX-UHFFFAOYSA-N
XLogP1.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 43148964) is N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CCCCN1CCCNC1=NCCS1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VBCSNTGPBHQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-11-5-2-3-8-15(11)9-4-6-13-12-14-7-10-16-12/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43148964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).