1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one

C13H19N5OS — CID 102889736

IUPAC1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one
SMILESCNCc1c(N2CCCN(C)C(=O)C2)nc2sccn12
InChIInChI=1S/C13H19N5OS/c1-14-8-10-12(15-13-18(10)6-7-20-13)17-5-3-4-16(2)11(19)9-17/h6-7,14H,3-5,8-9H2,1-2H3
InChIKeyCAILFXDLSMMREQ-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.78
Rot. Bonds3

About 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one

1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one (PubChem CID 102889736) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one
PubChem CID102889736
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one
SMILESCNCc1c(N2CCCN(C)C(=O)C2)nc2sccn12
InChIInChI=1S/C13H19N5OS/c1-14-8-10-12(15-13-18(10)6-7-20-13)17-5-3-4-16(2)11(19)9-17/h6-7,14H,3-5,8-9H2,1-2H3
InChIKeyCAILFXDLSMMREQ-UHFFFAOYSA-N
XLogP0.78
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one
CID 102889682
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
CID 64695935
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
4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
CID 107405457
1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-3-carboxamide
CID 43476199
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
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269
3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
CID 63606149
2-methyl-N-[[6-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63058722
N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
CID 62888980

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one?
The IUPAC name of 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one (CID 102889736) is 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one.
What is the SMILES notation for 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one?
The canonical SMILES for 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one is CNCc1c(N2CCCN(C)C(=O)C2)nc2sccn12.
What is the InChIKey of 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one?
The InChIKey is CAILFXDLSMMREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-14-8-10-12(15-13-18(10)6-7-20-13)17-5-3-4-16(2)11(19)9-17/h6-7,14H,3-5,8-9H2,1-2H3.
What are the key properties of 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one?
1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one has a molecular weight of 293.40 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one is sourced from PubChem (CID 102889736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).