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

C11H17N3S — CID 78925544

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3S/c1-3-9(4-2)12-7-10-8-14-5-6-15-11(14)13-10/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyOPTLUFYMFURGFU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.67
Rot. Bonds5

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine (PubChem CID 78925544) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
PubChem CID78925544
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3S/c1-3-9(4-2)12-7-10-8-14-5-6-15-11(14)13-10/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyOPTLUFYMFURGFU-UHFFFAOYSA-N
XLogP2.67
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-1-methoxybutan-2-amine
CID 81333206
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-methylbutan-2-amine
CID 81334513
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
CID 115713221
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methoxypropan-1-ol
CID 106190367
2-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115331568
(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 97230778
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 83187591
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

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine (CID 78925544) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine is CCC(CC)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine?
The InChIKey is OPTLUFYMFURGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-9(4-2)12-7-10-8-14-5-6-15-11(14)13-10/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine is sourced from PubChem (CID 78925544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).