(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C14H14N6OS — CID 71829684

IUPAC(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(NCCc1nccs1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C14H14N6OS/c21-14(16-7-6-12-15-8-9-22-12)13(20-10-17-18-19-20)11-4-2-1-3-5-11/h1-5,8-10,13H,6-7H2,(H,16,21)/t13-/m0/s1
InChIKeyVXNHZASIXFGCED-ZDUSSCGKSA-N
MW314.37 g/mol
LogP1.08
Rot. Bonds6

About (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 71829684) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID71829684
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(NCCc1nccs1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C14H14N6OS/c21-14(16-7-6-12-15-8-9-22-12)13(20-10-17-18-19-20)11-4-2-1-3-5-11/h1-5,8-10,13H,6-7H2,(H,16,21)/t13-/m0/s1
InChIKeyVXNHZASIXFGCED-ZDUSSCGKSA-N
XLogP1.08
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 71829684) is (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is O=C(NCCc1nccs1)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is VXNHZASIXFGCED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-14(16-7-6-12-15-8-9-22-12)13(20-10-17-18-19-20)11-4-2-1-3-5-11/h1-5,8-10,13H,6-7H2,(H,16,21)/t13-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 314.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 71829684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).