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

C15H24N4S — CID 115334931

IUPAC6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)C1CN(Cc2cn3ccsc3n2)CCCN1
InChIInChI=1S/C15H24N4S/c1-15(2,3)13-11-18(6-4-5-16-13)9-12-10-19-7-8-20-14(19)17-12/h7-8,10,13,16H,4-6,9,11H2,1-3H3
InChIKeyQITKOCKRAWKQCL-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.61
Rot. Bonds2

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

6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334931) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334931
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)C1CN(Cc2cn3ccsc3n2)CCCN1
InChIInChI=1S/C15H24N4S/c1-15(2,3)13-11-18(6-4-5-16-13)9-12-10-19-7-8-20-14(19)17-12/h7-8,10,13,16H,4-6,9,11H2,1-3H3
InChIKeyQITKOCKRAWKQCL-UHFFFAOYSA-N
XLogP2.61
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085
2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 115332088
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
6-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 102850313
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 95311215

Frequently Asked Questions

What is the IUPAC name of 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334931) is 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is CC(C)(C)C1CN(Cc2cn3ccsc3n2)CCCN1.
What is the InChIKey of 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is QITKOCKRAWKQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-15(2,3)13-11-18(6-4-5-16-13)9-12-10-19-7-8-20-14(19)17-12/h7-8,10,13,16H,4-6,9,11H2,1-3H3.
What are the key properties of 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 292.45 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).