N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C16H19N3S2 — CID 62841992

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCc1cn2c(CNC3CCCc4sccc43)c(C)nc2s1
InChIInChI=1S/C16H19N3S2/c1-10-9-19-14(11(2)18-16(19)21-10)8-17-13-4-3-5-15-12(13)6-7-20-15/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyFMJYTKFZYYETRY-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.24
Rot. Bonds3

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 62841992) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID62841992
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCc1cn2c(CNC3CCCc4sccc43)c(C)nc2s1
InChIInChI=1S/C16H19N3S2/c1-10-9-19-14(11(2)18-16(19)21-10)8-17-13-4-3-5-15-12(13)6-7-20-15/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyFMJYTKFZYYETRY-UHFFFAOYSA-N
XLogP4.24
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 62397504
N-[(5-methyl-2-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81312736
N-[(3-chloro-4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106816796
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 61208162
N-[(2,6-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841812
N-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841961
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 43625834
1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone
CID 62840325
4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine
CID 106570720
N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107235644
methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360
N-[(3,5-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840612

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 62841992) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Cc1cn2c(CNC3CCCc4sccc43)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is FMJYTKFZYYETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-10-9-19-14(11(2)18-16(19)21-10)8-17-13-4-3-5-15-12(13)6-7-20-15/h6-7,9,13,17H,3-5,8H2,1-2H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 317.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 62841992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).