N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C16H14ClN3O2S — CID 166401799

IUPACN-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC1(c2ccc(Cl)cc2)COC1
InChIInChI=1S/C16H14ClN3O2S/c1-10-13(20-6-7-23-15(20)18-10)14(21)19-16(8-22-9-16)11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3,(H,19,21)
InChIKeyXZOLSYORTXVSLZ-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.01
Rot. Bonds3

About N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 166401799) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID166401799
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC1(c2ccc(Cl)cc2)COC1
InChIInChI=1S/C16H14ClN3O2S/c1-10-13(20-6-7-23-15(20)18-10)14(21)19-16(8-22-9-16)11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3,(H,19,21)
InChIKeyXZOLSYORTXVSLZ-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 155912059
methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
CID 101023044
N,6-dimethyl-N-phenylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126470617
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 95147847
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 95726024
6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 694638
2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide
CID 138021751
6-methyl-N-[(3R)-piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66639497
6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 5480533
6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide
CID 166401808

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 166401799) is N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC1(c2ccc(Cl)cc2)COC1.
What is the InChIKey of N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is XZOLSYORTXVSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-10-13(20-6-7-23-15(20)18-10)14(21)19-16(8-22-9-16)11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 166401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).