N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine

C16H27N3S — CID 43625823

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine
SMILESCc1cn2c(CNC(C)CCCC(C)C)c(C)nc2s1
InChIInChI=1S/C16H27N3S/c1-11(2)7-6-8-12(3)17-9-15-14(5)18-16-19(15)10-13(4)20-16/h10-12,17H,6-9H2,1-5H3
InChIKeyUNNXNNLXPQEXTG-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.32
Rot. Bonds7

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine (PubChem CID 43625823) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine
PubChem CID43625823
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine
SMILESCc1cn2c(CNC(C)CCCC(C)C)c(C)nc2s1
InChIInChI=1S/C16H27N3S/c1-11(2)7-6-8-12(3)17-9-15-14(5)18-16-19(15)10-13(4)20-16/h10-12,17H,6-9H2,1-5H3
InChIKeyUNNXNNLXPQEXTG-UHFFFAOYSA-N
XLogP4.32
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine (CID 43625823) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine is Cc1cn2c(CNC(C)CCCC(C)C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine?
The InChIKey is UNNXNNLXPQEXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-11(2)7-6-8-12(3)17-9-15-14(5)18-16-19(15)10-13(4)20-16/h10-12,17H,6-9H2,1-5H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43625823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).