1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

C15H23N5S — CID 63150946

IUPAC1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(N2CCCN3CCCC3C2)nc2sccn12
InChIInChI=1S/C15H23N5S/c1-16-10-13-14(17-15-20(13)8-9-21-15)19-7-3-6-18-5-2-4-12(18)11-19/h8-9,12,16H,2-7,10-11H2,1H3
InChIKeyHASSSAPUYBEVSY-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.79
Rot. Bonds3

About 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 63150946) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID63150946
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(N2CCCN3CCCC3C2)nc2sccn12
InChIInChI=1S/C15H23N5S/c1-16-10-13-14(17-15-20(13)8-9-21-15)19-7-3-6-18-5-2-4-12(18)11-19/h8-9,12,16H,2-7,10-11H2,1H3
InChIKeyHASSSAPUYBEVSY-UHFFFAOYSA-N
XLogP1.79
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-methyl-1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 79929871
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-3-carboxamide
CID 43476199
4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
CID 107405457
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269
1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one
CID 102889736
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247
1-[6-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 61445305
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762
N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
CID 62888980
2-methoxy-N-[[6-(3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63059967
5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 102965868

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 63150946) is 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(N2CCCN3CCCC3C2)nc2sccn12.
What is the InChIKey of 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is HASSSAPUYBEVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-16-10-13-14(17-15-20(13)8-9-21-15)19-7-3-6-18-5-2-4-12(18)11-19/h8-9,12,16H,2-7,10-11H2,1H3.
What are the key properties of 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 305.45 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).