N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine

C17H25N3S — CID 115335410

IUPACN-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
SMILESc1cn2cc(CC3CCCCCC3CNC3CC3)nc2s1
InChIInChI=1S/C17H25N3S/c1-2-4-13(14(5-3-1)11-18-15-6-7-15)10-16-12-20-8-9-21-17(20)19-16/h8-9,12-15,18H,1-7,10-11H2
InChIKeyVKCCQUCYTNYLJT-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.89
Rot. Bonds5

About N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 115335410) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID115335410
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
SMILESc1cn2cc(CC3CCCCCC3CNC3CC3)nc2s1
InChIInChI=1S/C17H25N3S/c1-2-4-13(14(5-3-1)11-18-15-6-7-15)10-16-12-20-8-9-21-17(20)19-16/h8-9,12-15,18H,1-7,10-11H2
InChIKeyVKCCQUCYTNYLJT-UHFFFAOYSA-N
XLogP3.89
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 115335393
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
[2-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 115331705
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025022
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine
CID 113289404
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 115334747
N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine
CID 115334602
6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334149

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine (CID 115335410) is N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine is c1cn2cc(CC3CCCCCC3CNC3CC3)nc2s1.
What is the InChIKey of N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is VKCCQUCYTNYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-4-13(14(5-3-1)11-18-15-6-7-15)10-16-12-20-8-9-21-17(20)19-16/h8-9,12-15,18H,1-7,10-11H2.
What are the key properties of N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 303.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 115335410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).