[5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C15H18N6OS — CID 56866948

IUPAC[5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2nc3sccn3c2-c2ncc[nH]2)CC1
InChIInChI=1S/C15H18N6OS/c1-19-5-2-6-20(8-7-19)14(22)11-12(13-16-3-4-17-13)21-9-10-23-15(21)18-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,17)
InChIKeyCTAXCLIOCLTIQW-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.56
Rot. Bonds2

About [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 56866948) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID56866948
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name[5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2nc3sccn3c2-c2ncc[nH]2)CC1
InChIInChI=1S/C15H18N6OS/c1-19-5-2-6-20(8-7-19)14(22)11-12(13-16-3-4-17-13)21-9-10-23-15(21)18-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,17)
InChIKeyCTAXCLIOCLTIQW-UHFFFAOYSA-N
XLogP1.56
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 56866948) is [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2nc3sccn3c2-c2ncc[nH]2)CC1.
What is the InChIKey of [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is CTAXCLIOCLTIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-19-5-2-6-20(8-7-19)14(22)11-12(13-16-3-4-17-13)21-9-10-23-15(21)18-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,17).
What are the key properties of [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 330.42 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-imidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 56866948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).