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

C16H31N3S — CID 107153803

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCCCN2CCCCC2C)S1
InChIInChI=1S/C16H31N3S/c1-13(2)11-15-12-18-16(20-15)17-8-6-10-19-9-5-4-7-14(19)3/h13-15H,4-12H2,1-3H3,(H,17,18)
InChIKeyIPGIDVLDRLDHSS-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.36
Rot. Bonds6

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

N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153803) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153803
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCCCN2CCCCC2C)S1
InChIInChI=1S/C16H31N3S/c1-13(2)11-15-12-18-16(20-15)17-8-6-10-19-9-5-4-7-14(19)3/h13-15H,4-12H2,1-3H3,(H,17,18)
InChIKeyIPGIDVLDRLDHSS-UHFFFAOYSA-N
XLogP3.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.36
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]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153803) is N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCCCN2CCCCC2C)S1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IPGIDVLDRLDHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-13(2)11-15-12-18-16(20-15)17-8-6-10-19-9-5-4-7-14(19)3/h13-15H,4-12H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 3.36, 6 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]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).