6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

C12H18N4S — CID 113289439

IUPAC6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1CCNCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C12H18N4S/c1-10-2-3-13-4-5-15(10)8-11-9-16-6-7-17-12(16)14-11/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyBRWMPYMTSBRUOV-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.58
Rot. Bonds2

About 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 113289439) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID113289439
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1CCNCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C12H18N4S/c1-10-2-3-13-4-5-15(10)8-11-9-16-6-7-17-12(16)14-11/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyBRWMPYMTSBRUOV-UHFFFAOYSA-N
XLogP1.58
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835
6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334943
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
CID 115332607
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 115332595
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056261
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
CID 80998122
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997345

Frequently Asked Questions

What is the IUPAC name of 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 113289439) is 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is CC1CCNCCN1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is BRWMPYMTSBRUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-10-2-3-13-4-5-15(10)8-11-9-16-6-7-17-12(16)14-11/h6-7,9-10,13H,2-5,8H2,1H3.
What are the key properties of 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 250.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 113289439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).