2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C15H18N4S — CID 83206154

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(Cc3cn4ccsc4n3)cc21
InChIInChI=1S/C15H18N4S/c16-14-4-2-1-3-11-7-18(10-13(11)14)8-12-9-19-5-6-20-15(19)17-12/h5-7,9-10,14H,1-4,8,16H2
InChIKeyNGIRHZWOJPVLNK-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.97
Rot. Bonds2

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83206154) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83206154
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(Cc3cn4ccsc4n3)cc21
InChIInChI=1S/C15H18N4S/c16-14-4-2-1-3-11-7-18(10-13(11)14)8-12-9-19-5-6-20-15(19)17-12/h5-7,9-10,14H,1-4,8,16H2
InChIKeyNGIRHZWOJPVLNK-UHFFFAOYSA-N
XLogP2.97
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
2-(4-amino-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetonitrile
CID 83208428
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115331879
2-[(4-bromothiophen-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212520
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116580040
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
N'-cyclopentyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethane-1,2-diamine
CID 113288909
1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115332399

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83206154) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is NC1CCCCc2cn(Cc3cn4ccsc4n3)cc21.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is NGIRHZWOJPVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c16-14-4-2-1-3-11-7-18(10-13(11)14)8-12-9-19-5-6-20-15(19)17-12/h5-7,9-10,14H,1-4,8,16H2.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 286.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83206154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).