1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

C16H19N3S2 — CID 61208162

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1cn2c(CNCc3cc4c(s3)CCC4)c(C)nc2s1
InChIInChI=1S/C16H19N3S2/c1-10-9-19-14(11(2)18-16(19)20-10)8-17-7-13-6-12-4-3-5-15(12)21-13/h6,9,17H,3-5,7-8H2,1-2H3
InChIKeyZQBBTMFJOVDBLR-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.85
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (PubChem CID 61208162) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
PubChem CID61208162
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1cn2c(CNCc3cc4c(s3)CCC4)c(C)nc2s1
InChIInChI=1S/C16H19N3S2/c1-10-9-19-14(11(2)18-16(19)20-10)8-17-7-13-6-12-4-3-5-15(12)21-13/h6,9,17H,3-5,7-8H2,1-2H3
InChIKeyZQBBTMFJOVDBLR-UHFFFAOYSA-N
XLogP3.85
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 61206659
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)methanamine
CID 43625818
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
CID 78988134
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820529
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834011
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methoxyethanamine
CID 43625696
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103761998
1-(2,5-difluorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 63379683
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43625829
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
methyl 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetate
CID 43625703
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841992

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The IUPAC name of 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) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is Cc1cn2c(CNCc3cc4c(s3)CCC4)c(C)nc2s1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The InChIKey is ZQBBTMFJOVDBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-10-9-19-14(11(2)18-16(19)20-10)8-17-7-13-6-12-4-3-5-15(12)21-13/h6,9,17H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine has a molecular weight of 317.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 61208162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).