[5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C23H35N5O2S — CID 45200191

IUPAC[5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2nc3sccn3c2CN(CC2CCC2)CC2CCCO2)CC1
InChIInChI=1S/C23H35N5O2S/c1-25-8-4-9-27(11-10-25)22(29)21-20(28-12-14-31-23(28)24-21)17-26(15-18-5-2-6-18)16-19-7-3-13-30-19/h12,14,18-19H,2-11,13,15-17H2,1H3
InChIKeyZMUWFQHXGKPNAY-UHFFFAOYSA-N
MW445.63 g/mol
LogP2.95
Rot. Bonds7

About [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 45200191) has the molecular formula C23H35N5O2S and a molecular weight of 445.63 g/mol. Its IUPAC name is [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID45200191
Molecular FormulaC23H35N5O2S
Molecular Weight445.63 g/mol
Exact Mass445.25
IUPAC Name[5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2nc3sccn3c2CN(CC2CCC2)CC2CCCO2)CC1
InChIInChI=1S/C23H35N5O2S/c1-25-8-4-9-27(11-10-25)22(29)21-20(28-12-14-31-23(28)24-21)17-26(15-18-5-2-6-18)16-19-7-3-13-30-19/h12,14,18-19H,2-11,13,15-17H2,1H3
InChIKeyZMUWFQHXGKPNAY-UHFFFAOYSA-N
XLogP2.95
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

[5-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28641621
[5-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 25287530
N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 28783501
[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 42290003
azocan-1-yl-[5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 30852089
methyl 2-[[6-(4-methyl-1,4-diazepane-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]-4-methylsulfanylbutanoate
CID 45247970
N-ethyl-5-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61435596
3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 122560301
6-(4-methylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096133
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 45200191) is [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2nc3sccn3c2CN(CC2CCC2)CC2CCCO2)CC1.
What is the InChIKey of [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is ZMUWFQHXGKPNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2S/c1-25-8-4-9-27(11-10-25)22(29)21-20(28-12-14-31-23(28)24-21)17-26(15-18-5-2-6-18)16-19-7-3-13-30-19/h12,14,18-19H,2-11,13,15-17H2,1H3.
What are the key properties of [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 445.63 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 45200191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).