6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole

C14H13ClN2S — CID 113289290

IUPAC6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole
SMILESClC(CCc1cn2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H13ClN2S/c15-13(11-4-2-1-3-5-11)7-6-12-10-17-8-9-18-14(17)16-12/h1-5,8-10,13H,6-7H2
InChIKeyTWEGQAOJZZTQPP-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.31
Rot. Bonds4

About 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole

6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 113289290) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole
PubChem CID113289290
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole
SMILESClC(CCc1cn2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H13ClN2S/c15-13(11-4-2-1-3-5-11)7-6-12-10-17-8-9-18-14(17)16-12/h1-5,8-10,13H,6-7H2
InChIKeyTWEGQAOJZZTQPP-UHFFFAOYSA-N
XLogP4.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115332399
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
CID 105023549
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949083
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
CID 52569566
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine
CID 115334701
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole (CID 113289290) is 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole is ClC(CCc1cn2ccsc2n1)c1ccccc1.
What is the InChIKey of 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is TWEGQAOJZZTQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c15-13(11-4-2-1-3-5-11)7-6-12-10-17-8-9-18-14(17)16-12/h1-5,8-10,13H,6-7H2.
What are the key properties of 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole?
6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 276.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 113289290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).