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

C11H17N3OS — CID 81333206

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3OS/c1-3-9(8-15-2)12-6-10-7-14-4-5-16-11(14)13-10/h4-5,7,9,12H,3,6,8H2,1-2H3
InChIKeyNOXCFRYOWSFHTF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.91
Rot. Bonds6

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine (PubChem CID 81333206) 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)-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine
PubChem CID81333206
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3OS/c1-3-9(8-15-2)12-6-10-7-14-4-5-16-11(14)13-10/h4-5,7,9,12H,3,6,8H2,1-2H3
InChIKeyNOXCFRYOWSFHTF-UHFFFAOYSA-N
XLogP1.91
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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)pentan-3-amine
CID 78925544
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methoxypropan-1-ol
CID 106190367
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
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)-3-methoxybutan-2-amine
CID 115713221
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)-2-(2-methoxyethoxy)ethanamine
CID 115331583
2-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115331568
(1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-yl)hydrazine
CID 105206256
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
1-imidazo[2,1-b][1,3]thiazol-6-yl-5-methoxy-N-methylpentan-2-amine
CID 113289221

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine (CID 81333206) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine is CCC(COC)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine?
The InChIKey is NOXCFRYOWSFHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-9(8-15-2)12-6-10-7-14-4-5-16-11(14)13-10/h4-5,7,9,12H,3,6,8H2,1-2H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine has a molecular weight of 239.34 g/mol, XLogP of 1.91, 6 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)-1-methoxybutan-2-amine is sourced from PubChem (CID 81333206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).