6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C14H16N4OS — CID 47164504

IUPAC6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCCCOc3ccccc3)sc2n1
InChIInChI=1S/C14H16N4OS/c1-11-10-18-14(16-11)20-13(17-18)15-8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)
InChIKeyNLYZEZWTSKDKNM-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.98
Rot. Bonds6

About 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 47164504) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID47164504
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCCCOc3ccccc3)sc2n1
InChIInChI=1S/C14H16N4OS/c1-11-10-18-14(16-11)20-13(17-18)15-8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17)
InChIKeyNLYZEZWTSKDKNM-UHFFFAOYSA-N
XLogP2.98
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[2-(2-phenoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzamide
CID 67221019
N-[2-[(S)-(2-fluorophenyl)sulfinyl]ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95325925
4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
5-bromo-N-(3-phenoxypropyl)-1,3,4-thiadiazol-2-amine
CID 64622861
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 47018446
3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
CID 47293073
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731310
5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285816
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 47164504) is 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NCCCOc3ccccc3)sc2n1.
What is the InChIKey of 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is NLYZEZWTSKDKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-11-10-18-14(16-11)20-13(17-18)15-8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,17).
What are the key properties of 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 288.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 47164504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).