1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

C19H30N4OS — CID 55861188

IUPAC1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCc1cn2c(CNCC3(N4CCOCC4)CCCCC3)c(C)nc2s1
InChIInChI=1S/C19H30N4OS/c1-15-13-23-17(16(2)21-18(23)25-15)12-20-14-19(6-4-3-5-7-19)22-8-10-24-11-9-22/h13,20H,3-12,14H2,1-2H3
InChIKeyNIZAUUNPQXOPDQ-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.14
Rot. Bonds5

About 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (PubChem CID 55861188) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
PubChem CID55861188
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCc1cn2c(CNCC3(N4CCOCC4)CCCCC3)c(C)nc2s1
InChIInChI=1S/C19H30N4OS/c1-15-13-23-17(16(2)21-18(23)25-15)12-20-14-19(6-4-3-5-7-19)22-8-10-24-11-9-22/h13,20H,3-12,14H2,1-2H3
InChIKeyNIZAUUNPQXOPDQ-UHFFFAOYSA-N
XLogP3.14
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (CID 55861188) is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is Cc1cn2c(CNCC3(N4CCOCC4)CCCCC3)c(C)nc2s1.
What is the InChIKey of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The InChIKey is NIZAUUNPQXOPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-15-13-23-17(16(2)21-18(23)25-15)12-20-14-19(6-4-3-5-7-19)22-8-10-24-11-9-22/h13,20H,3-12,14H2,1-2H3.
What are the key properties of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine has a molecular weight of 362.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 55861188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).