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

C14H18N4S — CID 79101097

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1cn2c(CNn3c(C)ccc3C)c(C)nc2s1
InChIInChI=1S/C14H18N4S/c1-9-5-6-10(2)18(9)15-7-13-12(4)16-14-17(13)8-11(3)19-14/h5-6,8,15H,7H2,1-4H3
InChIKeyIRSJBYZKVMXRLQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.17
Rot. Bonds3

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

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79101097) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79101097
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1cn2c(CNn3c(C)ccc3C)c(C)nc2s1
InChIInChI=1S/C14H18N4S/c1-9-5-6-10(2)18(9)15-7-13-12(4)16-14-17(13)8-11(3)19-14/h5-6,8,15H,7H2,1-4H3
InChIKeyIRSJBYZKVMXRLQ-UHFFFAOYSA-N
XLogP3.17
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine (CID 79101097) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine is Cc1cn2c(CNn3c(C)ccc3C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is IRSJBYZKVMXRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-5-6-10(2)18(9)15-7-13-12(4)16-14-17(13)8-11(3)19-14/h5-6,8,15H,7H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79101097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).