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

C16H24N4S — CID 115334943

IUPAC6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1CCNC(C)(C2CC2)CN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-12-5-6-17-16(2,13-3-4-13)11-20(12)10-14-9-19-7-8-21-15(19)18-14/h7-9,12-13,17H,3-6,10-11H2,1-2H3
InChIKeyNRLPLQCSAHXGAJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.75
Rot. Bonds3

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

6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334943) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334943
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1CCNC(C)(C2CC2)CN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-12-5-6-17-16(2,13-3-4-13)11-20(12)10-14-9-19-7-8-21-15(19)18-14/h7-9,12-13,17H,3-6,10-11H2,1-2H3
InChIKeyNRLPLQCSAHXGAJ-UHFFFAOYSA-N
XLogP2.75
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334914
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870220
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835
6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334918
6-[(5-cyclopropyl-2-ethyl-2-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334922

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334943) is 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is CC1CCNC(C)(C2CC2)CN1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NRLPLQCSAHXGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-12-5-6-17-16(2,13-3-4-13)11-20(12)10-14-9-19-7-8-21-15(19)18-14/h7-9,12-13,17H,3-6,10-11H2,1-2H3.
What are the key properties of 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 304.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).