3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine

C12H19N3S — CID 115332363

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
SMILESCCC(Cc1cn2ccsc2n1)C(C)NC
InChIInChI=1S/C12H19N3S/c1-4-10(9(2)13-3)7-11-8-15-5-6-16-12(15)14-11/h5-6,8-10,13H,4,7H2,1-3H3
InChIKeyPMAKEOXXMITQLP-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.57
Rot. Bonds5

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine (PubChem CID 115332363) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
PubChem CID115332363
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
SMILESCCC(Cc1cn2ccsc2n1)C(C)NC
InChIInChI=1S/C12H19N3S/c1-4-10(9(2)13-3)7-11-8-15-5-6-16-12(15)14-11/h5-6,8-10,13H,4,7H2,1-3H3
InChIKeyPMAKEOXXMITQLP-UHFFFAOYSA-N
XLogP2.57
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
CID 105023549
6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
CID 115334174
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
(3-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-2-yl)hydrazine
CID 105328737
3-imidazo[2,1-b][1,3]thiazol-6-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 115333859
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 115332398
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
3-ethoxy-1-imidazo[2,1-b][1,3]thiazol-6-yl-N,3-dimethylpentan-2-amine
CID 116758969
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
CID 113289311

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine (CID 115332363) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine is CCC(Cc1cn2ccsc2n1)C(C)NC.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine?
The InChIKey is PMAKEOXXMITQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-4-10(9(2)13-3)7-11-8-15-5-6-16-12(15)14-11/h5-6,8-10,13H,4,7H2,1-3H3.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine is sourced from PubChem (CID 115332363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).