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

C19H37N3S — CID 70567964

IUPACN-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCCCC(CCCNC1=NCCS1)N1CCCCC1
InChIInChI=1S/C19H37N3S/c1-2-3-4-5-7-11-18(22-15-8-6-9-16-22)12-10-13-20-19-21-14-17-23-19/h18H,2-17H2,1H3,(H,20,21)
InChIKeyFZWQXCKRXAXMIY-UHFFFAOYSA-N
MW339.59 g/mol
LogP4.67
Rot. Bonds11

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

N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 70567964) has the molecular formula C19H37N3S and a molecular weight of 339.59 g/mol. Its IUPAC name is N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID70567964
Molecular FormulaC19H37N3S
Molecular Weight339.59 g/mol
Exact Mass339.27
IUPAC NameN-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCCCC(CCCNC1=NCCS1)N1CCCCC1
InChIInChI=1S/C19H37N3S/c1-2-3-4-5-7-11-18(22-15-8-6-9-16-22)12-10-13-20-19-21-14-17-23-19/h18H,2-17H2,1H3,(H,20,21)
InChIKeyFZWQXCKRXAXMIY-UHFFFAOYSA-N
XLogP4.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.59
LogP ≤ 54.67
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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Related Compounds

2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidothioate
CID 203296
N-(Octan-3-YL)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 6493402
2-aminoethyl N'-heptyl-N-octylcarbamimidothioate
CID 12796257
ethyl N-heptan-2-yl-N'-heptylcarbamimidothioate
CID 13083464
1-sec-heptyl-3-n-hexyl-2-S-ethylisothiourea
CID 13083466
ethyl N-heptan-2-yl-N'-octylcarbamimidothioate
CID 20398496
propyl N-heptan-2-yl-N'-octylcarbamimidothioate
CID 20398508
ethyl N,N'-di(heptan-2-yl)carbamimidothioate
CID 20398513
2-[(2R)-2-ethylpiperidin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 173894320
N-[(3R)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7421142
N-[(3S)-octan-3-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7421144
4-(Piperidin-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 9942418

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 70567964) is N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine is CCCCCCCC(CCCNC1=NCCS1)N1CCCCC1.
What is the InChIKey of N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FZWQXCKRXAXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3S/c1-2-3-4-5-7-11-18(22-15-8-6-9-16-22)12-10-13-20-19-21-14-17-23-19/h18H,2-17H2,1H3,(H,20,21).
What are the key properties of N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 339.59 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 70567964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).