5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

C16H29N3S — CID 64943457

IUPAC5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCCC1(CC)CN(C(C)c2sc(C)nc2C)CCCN1
InChIInChI=1S/C16H29N3S/c1-6-16(7-2)11-19(10-8-9-17-16)13(4)15-12(3)18-14(5)20-15/h13,17H,6-11H2,1-5H3
InChIKeyMQCPPJKKDZDLFE-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.68
Rot. Bonds4

About 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 64943457) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
PubChem CID64943457
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCCC1(CC)CN(C(C)c2sc(C)nc2C)CCCN1
InChIInChI=1S/C16H29N3S/c1-6-16(7-2)11-19(10-8-9-17-16)13(4)15-12(3)18-14(5)20-15/h13,17H,6-11H2,1-5H3
InChIKeyMQCPPJKKDZDLFE-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (CID 64943457) is 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is CCC1(CC)CN(C(C)c2sc(C)nc2C)CCCN1.
What is the InChIKey of 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is MQCPPJKKDZDLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-16(7-2)11-19(10-8-9-17-16)13(4)15-12(3)18-14(5)20-15/h13,17H,6-11H2,1-5H3.
What are the key properties of 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 295.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 64943457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).