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

C11H17N3OS — CID 115713221

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3OS/c1-8(9(2)15-3)12-6-10-7-14-4-5-16-11(14)13-10/h4-5,7-9,12H,6H2,1-3H3
InChIKeyAJOJYQAJTRWJGN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.91
Rot. Bonds5

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine (PubChem CID 115713221) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
PubChem CID115713221
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3OS/c1-8(9(2)15-3)12-6-10-7-14-4-5-16-11(14)13-10/h4-5,7-9,12H,6H2,1-3H3
InChIKeyAJOJYQAJTRWJGN-UHFFFAOYSA-N
XLogP1.91
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine
CID 81333206
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 83187591
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methoxypropan-1-ol
CID 106190367
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
2-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115331568

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine (CID 115713221) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine is COC(C)C(C)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine?
The InChIKey is AJOJYQAJTRWJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(9(2)15-3)12-6-10-7-14-4-5-16-11(14)13-10/h4-5,7-9,12H,6H2,1-3H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine has a molecular weight of 239.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine is sourced from PubChem (CID 115713221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).