N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C16H11ClN6O2S — CID 8852414

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H11ClN6O2S/c17-10-1-2-13(23-8-18-7-20-23)12(5-10)21-14(24)6-22-9-19-15-11(16(22)25)3-4-26-15/h1-5,7-9H,6H2,(H,21,24)
InChIKeyKEUFQNQUEGIPPC-UHFFFAOYSA-N
MW386.82 g/mol
LogP2.33
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 8852414) has the molecular formula C16H11ClN6O2S and a molecular weight of 386.82 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID8852414
Molecular FormulaC16H11ClN6O2S
Molecular Weight386.82 g/mol
Exact Mass386.04
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H11ClN6O2S/c17-10-1-2-13(23-8-18-7-20-23)12(5-10)21-14(24)6-22-9-19-15-11(16(22)25)3-4-26-15/h1-5,7-9H,6H2,(H,21,24)
InChIKeyKEUFQNQUEGIPPC-UHFFFAOYSA-N
XLogP2.33
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 8862190
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 8986507
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002578
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9116505
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 31527310
4-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 18144249
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9463568
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 51281899
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55308720

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 8852414) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is KEUFQNQUEGIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O2S/c17-10-1-2-13(23-8-18-7-20-23)12(5-10)21-14(24)6-22-9-19-15-11(16(22)25)3-4-26-15/h1-5,7-9H,6H2,(H,21,24).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 386.82 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 8852414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).