1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C16H20N6OS — CID 92564064

IUPAC1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1csc2c([C@@H]3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12
InChIInChI=1S/C16H20N6OS/c1-11-8-24-16-15(19-12(2)22(11)16)13-4-3-5-20(6-13)14(23)7-21-10-17-9-18-21/h8-10,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyBBTMFFIJZHJSCW-CYBMUJFWSA-N
MW344.44 g/mol
LogP2.01
Rot. Bonds3

About 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 92564064) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID92564064
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1csc2c([C@@H]3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12
InChIInChI=1S/C16H20N6OS/c1-11-8-24-16-15(19-12(2)22(11)16)13-4-3-5-20(6-13)14(23)7-21-10-17-9-18-21/h8-10,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyBBTMFFIJZHJSCW-CYBMUJFWSA-N
XLogP2.01
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone with MolForge

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Related Compounds

[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92564083
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92564091
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95777676
(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 92564036
ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437
(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 28789819
3-[2-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92564157
1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 81470062
N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 92621550
1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 46956099
2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 95811568
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 25455462

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 92564064) is 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is Cc1csc2c([C@@H]3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12.
What is the InChIKey of 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is BBTMFFIJZHJSCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-11-8-24-16-15(19-12(2)22(11)16)13-4-3-5-20(6-13)14(23)7-21-10-17-9-18-21/h8-10,13H,3-7H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 344.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 92564064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).