1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H21N5S — CID 55128569

IUPAC1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1nc2sccn2c1CN
InChIInChI=1S/C13H21N5S/c1-16(2)9-10-4-3-5-17(10)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKeyGIHKTHRSAODTFA-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.38
Rot. Bonds4

About 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 55128569) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID55128569
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1nc2sccn2c1CN
InChIInChI=1S/C13H21N5S/c1-16(2)9-10-4-3-5-17(10)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKeyGIHKTHRSAODTFA-UHFFFAOYSA-N
XLogP1.38
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 55128569) is 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1c1nc2sccn2c1CN.
What is the InChIKey of 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is GIHKTHRSAODTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-16(2)9-10-4-3-5-17(10)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9,14H2,1-2H3.
What are the key properties of 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 279.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 55128569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).