N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine

C16H19N3S2 — CID 60976809

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
SMILESCc1nc2scc(C)n2c1CNCCSc1ccccc1
InChIInChI=1S/C16H19N3S2/c1-12-11-21-16-18-13(2)15(19(12)16)10-17-8-9-20-14-6-4-3-5-7-14/h3-7,11,17H,8-10H2,1-2H3
InChIKeyYMCOPXBBNULECW-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.89
Rot. Bonds6

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine (PubChem CID 60976809) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
PubChem CID60976809
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
SMILESCc1nc2scc(C)n2c1CNCCSc1ccccc1
InChIInChI=1S/C16H19N3S2/c1-12-11-21-16-18-13(2)15(19(12)16)10-17-8-9-20-14-6-4-3-5-7-14/h3-7,11,17H,8-10H2,1-2H3
InChIKeyYMCOPXBBNULECW-UHFFFAOYSA-N
XLogP3.89
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.89
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

N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770874
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305515
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43762589
3-(cyclopropylmethoxy)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770760
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-propylacetamide
CID 43777779
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 61016174
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N,N-dimethylacetamide
CID 43775364
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773790

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine (CID 60976809) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine is Cc1nc2scc(C)n2c1CNCCSc1ccccc1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine?
The InChIKey is YMCOPXBBNULECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-12-11-21-16-18-13(2)15(19(12)16)10-17-8-9-20-14-6-4-3-5-7-14/h3-7,11,17H,8-10H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine has a molecular weight of 317.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine is sourced from PubChem (CID 60976809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).