N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide

C17H17ClN4O2S — CID 167788136

IUPACN-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
SMILESN#Cc1c(Cl)nsc1N1CCC(NC(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H17ClN4O2S/c18-16-14(10-19)17(25-21-16)22-7-5-12(6-8-22)20-15(24)9-11-1-3-13(23)4-2-11/h1-4,12,23H,5-9H2,(H,20,24)
InChIKeyKLLCRCWEHPBKRY-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.70
Rot. Bonds4

About N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide

N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 167788136) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID167788136
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC NameN-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
SMILESN#Cc1c(Cl)nsc1N1CCC(NC(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H17ClN4O2S/c18-16-14(10-19)17(25-21-16)22-7-5-12(6-8-22)20-15(24)9-11-1-3-13(23)4-2-11/h1-4,12,23H,5-9H2,(H,20,24)
InChIKeyKLLCRCWEHPBKRY-UHFFFAOYSA-N
XLogP2.70
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide (CID 167788136) is N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide is N#Cc1c(Cl)nsc1N1CCC(NC(=O)Cc2ccc(O)cc2)CC1.
What is the InChIKey of N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is KLLCRCWEHPBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c18-16-14(10-19)17(25-21-16)22-7-5-12(6-8-22)20-15(24)9-11-1-3-13(23)4-2-11/h1-4,12,23H,5-9H2,(H,20,24).
What are the key properties of N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide?
N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 376.87 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 167788136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).