N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine

C13H21N3S2 — CID 114125625

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine
SMILESCSCCCCCCNCc1cn2ccsc2n1
InChIInChI=1S/C13H21N3S2/c1-17-8-5-3-2-4-6-14-10-12-11-16-7-9-18-13(16)15-12/h7,9,11,14H,2-6,8,10H2,1H3
InChIKeyIVWUHDJEMYEVRG-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.41
Rot. Bonds9

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine (PubChem CID 114125625) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine
PubChem CID114125625
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine
SMILESCSCCCCCCNCc1cn2ccsc2n1
InChIInChI=1S/C13H21N3S2/c1-17-8-5-3-2-4-6-14-10-12-11-16-7-9-18-13(16)15-12/h7,9,11,14H,2-6,8,10H2,1H3
InChIKeyIVWUHDJEMYEVRG-UHFFFAOYSA-N
XLogP3.41
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
CID 106160046
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105174072
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
CID 115334708

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine (CID 114125625) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine is CSCCCCCCNCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine?
The InChIKey is IVWUHDJEMYEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-17-8-5-3-2-4-6-14-10-12-11-16-7-9-18-13(16)15-12/h7,9,11,14H,2-6,8,10H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine has a molecular weight of 283.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine is sourced from PubChem (CID 114125625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).