[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone

C16H16ClN5OS2 — CID 126768311

IUPAC[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCC(Cn2ccnn2)C1
InChIInChI=1S/C16H16ClN5OS2/c17-14-4-3-13(25-14)15-19-12(10-24-15)16(23)21-6-1-2-11(8-21)9-22-7-5-18-20-22/h3-5,7,10-11H,1-2,6,8-9H2
InChIKeyODCMYKXBHOWLEM-UHFFFAOYSA-N
MW393.93 g/mol
LogP3.67
Rot. Bonds4

About [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone

[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126768311) has the molecular formula C16H16ClN5OS2 and a molecular weight of 393.93 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID126768311
Molecular FormulaC16H16ClN5OS2
Molecular Weight393.93 g/mol
Exact Mass393.05
IUPAC Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCC(Cn2ccnn2)C1
InChIInChI=1S/C16H16ClN5OS2/c17-14-4-3-13(25-14)15-19-12(10-24-15)16(23)21-6-1-2-11(8-21)9-22-7-5-18-20-22/h3-5,7,10-11H,1-2,6,8-9H2
InChIKeyODCMYKXBHOWLEM-UHFFFAOYSA-N
XLogP3.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.93
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 139004678
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 62357457
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 138992521
[(3R)-3-aminopyrrolidin-1-yl]-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412335
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110904420
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 124691936
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398069
1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520747
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256568
3-[(3R)-1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124702033
[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 126768311) is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCC(Cn2ccnn2)C1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ODCMYKXBHOWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS2/c17-14-4-3-13(25-14)15-19-12(10-24-15)16(23)21-6-1-2-11(8-21)9-22-7-5-18-20-22/h3-5,7,10-11H,1-2,6,8-9H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 393.93 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126768311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).