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

C15H25N3OS — CID 115334364

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1cn2ccsc2n1)CC(C)C
InChIInChI=1S/C15H25N3OS/c1-12(2)8-13(10-16-4-6-19-3)9-14-11-18-5-7-20-15(18)17-14/h5,7,11-13,16H,4,6,8-10H2,1-3H3
InChIKeyPGONFGZYOGOIGI-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.84
Rot. Bonds9

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

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine (PubChem CID 115334364) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
PubChem CID115334364
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1cn2ccsc2n1)CC(C)C
InChIInChI=1S/C15H25N3OS/c1-12(2)8-13(10-16-4-6-19-3)9-14-11-18-5-7-20-15(18)17-14/h5,7,11-13,16H,4,6,8-10H2,1-3H3
InChIKeyPGONFGZYOGOIGI-UHFFFAOYSA-N
XLogP2.84
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
CID 113289311
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
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
(1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-yl)hydrazine
CID 105206256
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
1-imidazo[2,1-b][1,3]thiazol-6-yl-5-methoxy-N-methylpentan-2-amine
CID 113289221
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine (CID 115334364) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine is COCCNCC(Cc1cn2ccsc2n1)CC(C)C.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The InChIKey is PGONFGZYOGOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12(2)8-13(10-16-4-6-19-3)9-14-11-18-5-7-20-15(18)17-14/h5,7,11-13,16H,4,6,8-10H2,1-3H3.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 115334364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).