2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine

C13H21N3S — CID 113289311

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
SMILESCNCC(Cc1cn2ccsc2n1)CC(C)C
InChIInChI=1S/C13H21N3S/c1-10(2)6-11(8-14-3)7-12-9-16-4-5-17-13(16)15-12/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyMJZVTJMVWXMFRG-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.82
Rot. Bonds6

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine (PubChem CID 113289311) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
PubChem CID113289311
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
SMILESCNCC(Cc1cn2ccsc2n1)CC(C)C
InChIInChI=1S/C13H21N3S/c1-10(2)6-11(8-14-3)7-12-9-16-4-5-17-13(16)15-12/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyMJZVTJMVWXMFRG-UHFFFAOYSA-N
XLogP2.82
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpentyl]cyclopropanamine
CID 115334270
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115334364
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
CID 115334298
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
CID 115332363
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine (CID 113289311) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine is CNCC(Cc1cn2ccsc2n1)CC(C)C.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine?
The InChIKey is MJZVTJMVWXMFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(2)6-11(8-14-3)7-12-9-16-4-5-17-13(16)15-12/h4-5,9-11,14H,6-8H2,1-3H3.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 113289311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).