6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H16N4OS — CID 16779994

IUPAC6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCN1CCCN(c2nc3sccn3c2C=O)CC1
InChIInChI=1S/C12H16N4OS/c1-14-3-2-4-15(6-5-14)11-10(9-17)16-7-8-18-12(16)13-11/h7-9H,2-6H2,1H3
InChIKeyOSHYYMAGMBJEAH-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.35
Rot. Bonds2

About 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 16779994) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID16779994
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCN1CCCN(c2nc3sccn3c2C=O)CC1
InChIInChI=1S/C12H16N4OS/c1-14-3-2-4-15(6-5-14)11-10(9-17)16-7-8-18-12(16)13-11/h7-9H,2-6H2,1H3
InChIKeyOSHYYMAGMBJEAH-UHFFFAOYSA-N
XLogP1.35
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780554
6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63158274
6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61441904
6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63973868
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 165460819
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82750522
6-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 79096104
6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 62133577
6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475639
(E)-3-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780343
6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55005275

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 16779994) is 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CN1CCCN(c2nc3sccn3c2C=O)CC1.
What is the InChIKey of 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is OSHYYMAGMBJEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-14-3-2-4-15(6-5-14)11-10(9-17)16-7-8-18-12(16)13-11/h7-9H,2-6H2,1H3.
What are the key properties of 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 264.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 16779994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).